1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one

C108H134N6O4 — CID 157196608

About 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one

1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one (PubChem CID 157196608) has the molecular formula C108H134N6O4 and a molecular weight of 1580.30 g/mol. Its IUPAC name is 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one.

Molecular Properties

• Compound Name: 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one
• PubChem CID: 157196608
• Molecular Formula: C108H134N6O4
• Molecular Weight: 1580.30 g/mol
• Exact Mass: 1579.05
• IUPAC Name: 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one
• SMILES: CCCC(=O)c1cccc(NCCCc2ccccc2)c1.CCCC(=O)c1cccc(NCc2ccccc2)c1.CCCC(O)c1cccc(NCc2ccccc2)c1.CCCCc1cccc(NCCCc2ccccc2)c1.CCCCc1cccc(NCCc2ccccc2)c1.CCCCc1cccc(NCc2ccccc2OC)c1
• InChI: InChI=1S/C19H23NO.C19H25N.C18H23NO.C18H23N.C17H21NO.C17H19NO/c1-2-8-19(21)17-12-6-13-18(15-17)20-14-7-11-16-9-4-3-5-10-16;1-2-3-9-18-12-7-14-19(16-18)20-15-8-13-17-10-5-4-6-11-17;1-3-4-8-15-9-7-11-17(13-15)19-14-16-10-5-6-12-18(16)20-2;1-2-3-8-17-11-7-12-18(15-17)19-14-13-16-9-5-4-6-10-16;2*1-2-7-17(19)15-10-6-11-16(12-15)18-13-14-8-4-3-5-9-14/h3-6,9-10,12-13,15,20H,2,7-8,11,14H2,1H3;4-7,10-12,14,16,20H,2-3,8-9,13,15H2,1H3;5-7,9-13,19H,3-4,8,14H2,1-2H3;4-7,9-12,15,19H,2-3,8,13-14H2,1H3;3-6,8-12,17-19H,2,7,13H2,1H3;3-6,8-12,18H,2,7,13H2,1H3
• InChIKey: AQHZQVQAHWNDBR-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 135.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 42
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.30
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one?

The IUPAC name of 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one (CID 157196608) is 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one.

What is the SMILES notation for 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one?

The canonical SMILES for 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one is CCCC(=O)c1cccc(NCCCc2ccccc2)c1.CCCC(=O)c1cccc(NCc2ccccc2)c1.CCCC(O)c1cccc(NCc2ccccc2)c1.CCCCc1cccc(NCCCc2ccccc2)c1.CCCCc1cccc(NCCc2ccccc2)c1.CCCCc1cccc(NCc2ccccc2OC)c1.

What is the InChIKey of 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one?

The InChIKey is AQHZQVQAHWNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C19H25N.C18H23NO.C18H23N.C17H21NO.C17H19NO/c1-2-8-19(21)17-12-6-13-18(15-17)20-14-7-11-16-9-4-3-5-10-16;1-2-3-9-18-12-7-14-19(16-18)20-15-8-13-17-10-5-4-6-11-17;1-3-4-8-15-9-7-11-17(13-15)19-14-16-10-5-6-12-18(16)20-2;1-2-3-8-17-11-7-12-18(15-17)19-14-13-16-9-5-4-6-10-16;2*1-2-7-17(19)15-10-6-11-16(12-15)18-13-14-8-4-3-5-9-14/h3-6,9-10,12-13,15,20H,2,7-8,11,14H2,1H3;4-7,10-12,14,16,20H,2-3,8-9,13,15H2,1H3;5-7,9-13,19H,3-4,8,14H2,1-2H3;4-7,9-12,15,19H,2-3,8,13-14H2,1H3;3-6,8-12,17-19H,2,7,13H2,1H3;3-6,8-12,18H,2,7,13H2,1H3.

What are the key properties of 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one?

1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one has a molecular weight of 1580.30 g/mol, XLogP of 27.54, 42 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(benzylamino)phenyl]butan-1-ol;1-[3-(benzylamino)phenyl]butan-1-one;3-butyl-N-[(2-methoxyphenyl)methyl]aniline;3-butyl-N-(2-phenylethyl)aniline;3-butyl-N-(3-phenylpropyl)aniline;1-[3-(3-phenylpropylamino)phenyl]butan-1-one is sourced from PubChem (CID 157196608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).