1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine

C₁₁₄H₁₄₄Br₃N₁₃O₂₀ — CID 165063025

About 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine

1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine (PubChem CID 165063025) has the molecular formula C₁₁₄H₁₄₄Br₃N₁₃O₂₀ and a molecular weight of 2256.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine
• PubChem CID: 165063025
• Molecular Formula: C₁₁₄H₁₄₄Br₃N₁₃O₂₀
• Molecular Weight: 2256.19 g/mol
• Exact Mass: 2251.82
• IUPAC Name: 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine
• SMILES: CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CC1.CN(C(=O)OC(C)(C)C)C1(c2cccc(Br)c2)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2)CC1.CNC1(c2cccc(C)c2)CC1.Cc1cccc(C2(N(C)C(=O)OC(C)(C)C)CC2)c1.Cc1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.NC1(c2cccc(Br)c2)CC1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C23H30N4O3.C22H28N4O3.C16H23NO2.C15H20BrNO2.C14H18BrNO2.C11H15N.C9H10BrN.4CO2/c1-16-7-6-8-17(13-16)23(9-10-23)25(5)20(28)18-14-24-27-12-11-26(15-19(18)27)21(29)30-22(2,3)4;1-21(2,3)29-20(28)25-12-13-26-18(15-25)17(14-23-26)19(27)24(4)22(10-11-22)16-8-6-5-7-9-16;1-12-7-6-8-13(11-12)16(9-10-16)17(5)14(18)19-15(2,3)4;1-14(2,3)19-13(18)17(4)15(8-9-15)11-6-5-7-12(16)10-11;1-13(2,3)18-12(17)16-14(7-8-14)10-5-4-6-11(15)9-10;1-9-4-3-5-10(8-9)11(12-2)6-7-11;10-8-3-1-2-7(6-8)9(11)4-5-9;4*2-1-3/h6-8,13-14H,9-12,15H2,1-5H3;5-9,14H,10-13,15H2,1-4H3;6-8,11H,9-10H2,1-5H3;5-7,10H,8-9H2,1-4H3;4-6,9H,7-8H2,1-3H3,(H,16,17);3-5,8,12H,6-7H2,1-2H3;1-3,6H,4-5,11H2
• InChIKey: RNBFYYWSNMBBHU-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 407.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2256.19
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine?

The IUPAC name of 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine (CID 165063025) is 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine.

What is the SMILES notation for 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine?

The canonical SMILES for 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine is CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CC1.CN(C(=O)OC(C)(C)C)C1(c2cccc(Br)c2)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2)CC1.CNC1(c2cccc(C)c2)CC1.Cc1cccc(C2(N(C)C(=O)OC(C)(C)C)CC2)c1.Cc1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.NC1(c2cccc(Br)c2)CC1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine?

The InChIKey is RNBFYYWSNMBBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3.C22H28N4O3.C16H23NO2.C15H20BrNO2.C14H18BrNO2.C11H15N.C9H10BrN.4CO2/c1-16-7-6-8-17(13-16)23(9-10-23)25(5)20(28)18-14-24-27-12-11-26(15-19(18)27)21(29)30-22(2,3)4;1-21(2,3)29-20(28)25-12-13-26-18(15-25)17(14-23-26)19(27)24(4)22(10-11-22)16-8-6-5-7-9-16;1-12-7-6-8-13(11-12)16(9-10-16)17(5)14(18)19-15(2,3)4;1-14(2,3)19-13(18)17(4)15(8-9-15)11-6-5-7-12(16)10-11;1-13(2,3)18-12(17)16-14(7-8-14)10-5-4-6-11(15)9-10;1-9-4-3-5-10(8-9)11(12-2)6-7-11;10-8-3-1-2-7(6-8)9(11)4-5-9;4*2-1-3/h6-8,13-14H,9-12,15H2,1-5H3;5-9,14H,10-13,15H2,1-4H3;6-8,11H,9-10H2,1-5H3;5-7,10H,8-9H2,1-4H3;4-6,9H,7-8H2,1-3H3,(H,16,17);3-5,8,12H,6-7H2,1-2H3;1-3,6H,4-5,11H2;;;;.

What are the key properties of 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine?

1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine has a molecular weight of 2256.19 g/mol, XLogP of 21.48, 15 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(3-methylphenyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-phenylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(3-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 165063025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165063025 — identifiers, structure, computed properties (public domain)

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