2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine

C112H163Cl2N19O7S — CID 158011651

About 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine

2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine (PubChem CID 158011651) has the molecular formula C112H163Cl2N19O7S and a molecular weight of 1990.63 g/mol. Its IUPAC name is 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine.

Molecular Properties

• Compound Name: 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine
• PubChem CID: 158011651
• Molecular Formula: C112H163Cl2N19O7S
• Molecular Weight: 1990.63 g/mol
• Exact Mass: 1988.21
• IUPAC Name: 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine
• SMILES: CC(C)CCNCCC(C)C.COc1cc2c(cc1OC)C(C(C)C)NCC2.NC1CCCc2ccccc21.NC1CCN(Cc2ccccc2)C1.NC1Cc2ccccc2C1.NCC(=O)c1ccccc1.NCCCN1CCCC1=O.NCCc1cccs1.NCc1cccc(Cl)c1Cl.O=C(c1ccco1)N1CCNCC1.O=c1[nH]c2ccccc2n1C1CCNCC1.c1ccc(N2CCNCC2)nc1
• InChI: InChI=1S/C14H21NO2.C12H15N3O.C11H16N2.C10H13N.C10H23N.C9H13N3.C9H12N2O2.C9H11N.C8H9NO.C7H7Cl2N.C7H14N2O.C6H9NS/c1-9(2)14-11-8-13(17-4)12(16-3)7-10(11)5-6-15-14;16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9;12-11-6-7-13(9-11)8-10-4-2-1-3-5-10;11-10-7-3-5-8-4-1-2-6-9(8)10;1-9(2)5-7-11-8-6-10(3)4;1-2-4-11-9(3-1)12-7-5-10-6-8-12;12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;10-9-5-7-3-1-2-4-8(7)6-9;9-6-8(10)7-4-2-1-3-5-7;8-6-3-1-2-5(4-10)7(6)9;8-4-2-6-9-5-1-3-7(9)10;7-4-3-6-2-1-5-8-6/h7-9,14-15H,5-6H2,1-4H3;1-4,9,13H,5-8H2,(H,14,16);1-5,11H,6-9,12H2;1-2,4,6,10H,3,5,7,11H2;9-11H,5-8H2,1-4H3;1-4,10H,5-8H2;1-2,7,10H,3-6H2;1-4,9H,5-6,10H2;1-5H,6,9H2;1-3H,4,10H2;1-6,8H2;1-2,5H,3-4,7H2
• InChIKey: FEYOBVFCDXNBRD-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 388.74 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.63
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine?

The IUPAC name of 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine (CID 158011651) is 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine.

What is the SMILES notation for 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine?

The canonical SMILES for 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine is CC(C)CCNCCC(C)C.COc1cc2c(cc1OC)C(C(C)C)NCC2.NC1CCCc2ccccc21.NC1CCN(Cc2ccccc2)C1.NC1Cc2ccccc2C1.NCC(=O)c1ccccc1.NCCCN1CCCC1=O.NCCc1cccs1.NCc1cccc(Cl)c1Cl.O=C(c1ccco1)N1CCNCC1.O=c1[nH]c2ccccc2n1C1CCNCC1.c1ccc(N2CCNCC2)nc1.

What is the InChIKey of 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine?

The InChIKey is FEYOBVFCDXNBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C12H15N3O.C11H16N2.C10H13N.C10H23N.C9H13N3.C9H12N2O2.C9H11N.C8H9NO.C7H7Cl2N.C7H14N2O.C6H9NS/c1-9(2)14-11-8-13(17-4)12(16-3)7-10(11)5-6-15-14;16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9;12-11-6-7-13(9-11)8-10-4-2-1-3-5-10;11-10-7-3-5-8-4-1-2-6-9(8)10;1-9(2)5-7-11-8-6-10(3)4;1-2-4-11-9(3-1)12-7-5-10-6-8-12;12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;10-9-5-7-3-1-2-4-8(7)6-9;9-6-8(10)7-4-2-1-3-5-7;8-6-3-1-2-5(4-10)7(6)9;8-4-2-6-9-5-1-3-7(9)10;7-4-3-6-2-1-5-8-6/h7-9,14-15H,5-6H2,1-4H3;1-4,9,13H,5-8H2,(H,14,16);1-5,11H,6-9,12H2;1-2,4,6,10H,3,5,7,11H2;9-11H,5-8H2,1-4H3;1-4,10H,5-8H2;1-2,7,10H,3-6H2;1-4,9H,5-6,10H2;1-5H,6,9H2;1-3H,4,10H2;1-6,8H2;1-2,5H,3-4,7H2.

What are the key properties of 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine?

2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine has a molecular weight of 1990.63 g/mol, XLogP of 16.13, 22 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine is sourced from PubChem (CID 158011651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).