1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane

C131H149Cl3F2N16O14 — CID 157294391

About 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane

1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane (PubChem CID 157294391) has the molecular formula C131H149Cl3F2N16O14 and a molecular weight of 2317.09 g/mol. Its IUPAC name is 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane.

Molecular Properties

• Compound Name: 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane
• PubChem CID: 157294391
• Molecular Formula: C131H149Cl3F2N16O14
• Molecular Weight: 2317.09 g/mol
• Exact Mass: 2314.05
• IUPAC Name: 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane
• SMILES: C.C.C1CCOC1.CO.COC(=O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.Clc1ncnc(Cl)n1.Nc1ccccc1C1(O)CC1.O=C(O)c1ccccc1F.O=C(O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1.OC1(c2ccccc2N(Cc2ccccc2)Cc2ccccc2)CC1.OC1(c2ccccc2Nc2ncnc(Cl)n2)CC1.[2H]CF.c1ccc(CNCc2ccccc2)cc1
• InChI: InChI=1S/C23H23NO.C22H21NO2.C21H19NO2.C14H15N.C12H11ClN4O.C12H20N4O3.C9H11NO.C7H5FO2.C4H8O.C3HCl2N3.CH3F.CH4O.2CH4/c25-23(15-16-23)21-13-7-8-14-22(21)24(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20;1-25-22(24)20-14-8-9-15-21(20)23(16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19;23-21(24)19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;13-10-14-7-15-11(17-10)16-9-4-2-1-3-8(9)12(18)5-6-12;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;10-8-4-2-1-3-7(8)9(11)5-6-9;8-6-4-2-1-3-5(6)7(9)10;1-2-4-5-3-1;4-2-6-1-7-3(5)8-2;2*1-2;;/h1-14,25H,15-18H2;2-15H,16-17H2,1H3;1-14H,15-16H2,(H,23,24);1-10,15H,11-12H2;1-4,7,18H,5-6H2,(H,14,15,16,17);7-8H,5-6,13H2,1-4H3;1-4,11H,5-6,10H2;1-4H,(H,9,10);1-4H2;1H;1H3;2H,1H3;2*1H4/i;;;;;;;;;;1D
• InChIKey: BBEDSJAABYKNJM-KTKLTATFSA-N
• XLogP: 26.77
• TPSA: 413.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.09
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane?

The IUPAC name of 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane (CID 157294391) is 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane.

What is the SMILES notation for 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane?

The canonical SMILES for 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane is C.C.C1CCOC1.CO.COC(=O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.Clc1ncnc(Cl)n1.Nc1ccccc1C1(O)CC1.O=C(O)c1ccccc1F.O=C(O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1.OC1(c2ccccc2N(Cc2ccccc2)Cc2ccccc2)CC1.OC1(c2ccccc2Nc2ncnc(Cl)n2)CC1.[2H]CF.c1ccc(CNCc2ccccc2)cc1.

What is the InChIKey of 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane?

The InChIKey is BBEDSJAABYKNJM-KTKLTATFSA-N. The full InChI is InChI=1S/C23H23NO.C22H21NO2.C21H19NO2.C14H15N.C12H11ClN4O.C12H20N4O3.C9H11NO.C7H5FO2.C4H8O.C3HCl2N3.CH3F.CH4O.2CH4/c25-23(15-16-23)21-13-7-8-14-22(21)24(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20;1-25-22(24)20-14-8-9-15-21(20)23(16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19;23-21(24)19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;13-10-14-7-15-11(17-10)16-9-4-2-1-3-8(9)12(18)5-6-12;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;10-8-4-2-1-3-7(8)9(11)5-6-9;8-6-4-2-1-3-5(6)7(9)10;1-2-4-5-3-1;4-2-6-1-7-3(5)8-2;2*1-2;;/h1-14,25H,15-18H2;2-15H,16-17H2,1H3;1-14H,15-16H2,(H,23,24);1-10,15H,11-12H2;1-4,7,18H,5-6H2,(H,14,15,16,17);7-8H,5-6,13H2,1-4H3;1-4,11H,5-6,10H2;1-4H,(H,9,10);1-4H2;1H;1H3;2H,1H3;2*1H4/i;;;;;;;;;;1D;;;.

What are the key properties of 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane?

1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane has a molecular weight of 2317.09 g/mol, XLogP of 26.77, 33 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminophenyl)cyclopropan-1-ol;N-benzyl-1-phenylmethanamine;1-[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]cyclopropan-1-ol;deuterio(fluoro)methane;2-(dibenzylamino)benzoic acid;1-[2-(dibenzylamino)phenyl]cyclopropan-1-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-fluorobenzoic acid;methane;methanol;methyl 2-(dibenzylamino)benzoate;oxolane is sourced from PubChem (CID 157294391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).