1-[3-(benzylamino)phenyl]butan-1-ol

C17H21NO — CID 90045597

IUPAC1-[3-(benzylamino)phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-2-7-17(19)15-10-6-11-16(12-15)18-13-14-8-4-3-5-9-14/h3-6,8-12,17-19H,2,7,13H2,1H3
InChIKeyORLSYKJYWUHXAT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.13
Rot. Bonds6

About 1-[3-(benzylamino)phenyl]butan-1-ol

1-[3-(benzylamino)phenyl]butan-1-ol (PubChem CID 90045597) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(benzylamino)phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[3-(benzylamino)phenyl]butan-1-ol
PubChem CID90045597
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(benzylamino)phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-2-7-17(19)15-10-6-11-16(12-15)18-13-14-8-4-3-5-9-14/h3-6,8-12,17-19H,2,7,13H2,1H3
InChIKeyORLSYKJYWUHXAT-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
CID 54525531
3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol
CID 59316981
1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 174622954
1-(3-butylphenyl)butan-1-ol
CID 158563510
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
4-[3-[(4-chlorophenyl)methylamino]phenyl]-4-hydroxy-2-oxobutanoic acid
CID 46843533
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(3-bromophenyl)butan-1-ol
CID 18417756
4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
CID 171201534
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940
3-(benzylamino)benzenethiol
CID 146183965
CID 163931246
CID 163931246

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)phenyl]butan-1-ol?
The IUPAC name of 1-[3-(benzylamino)phenyl]butan-1-ol (CID 90045597) is 1-[3-(benzylamino)phenyl]butan-1-ol.
What is the SMILES notation for 1-[3-(benzylamino)phenyl]butan-1-ol?
The canonical SMILES for 1-[3-(benzylamino)phenyl]butan-1-ol is CCCC(O)c1cccc(NCc2ccccc2)c1.
What is the InChIKey of 1-[3-(benzylamino)phenyl]butan-1-ol?
The InChIKey is ORLSYKJYWUHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-7-17(19)15-10-6-11-16(12-15)18-13-14-8-4-3-5-9-14/h3-6,8-12,17-19H,2,7,13H2,1H3.
What are the key properties of 1-[3-(benzylamino)phenyl]butan-1-ol?
1-[3-(benzylamino)phenyl]butan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)phenyl]butan-1-ol is sourced from PubChem (CID 90045597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).