3-(benzylamino)-1-phenylbutan-1-ol

C17H21NO — CID 70615080

IUPAC3-(benzylamino)-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H21NO/c1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16/h2-11,14,17-19H,12-13H2,1H3
InChIKeyIFPOPPYXMKYTKL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.29
Rot. Bonds6

About 3-(benzylamino)-1-phenylbutan-1-ol

3-(benzylamino)-1-phenylbutan-1-ol (PubChem CID 70615080) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(benzylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-1-phenylbutan-1-ol
PubChem CID70615080
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(benzylamino)-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H21NO/c1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16/h2-11,14,17-19H,12-13H2,1H3
InChIKeyIFPOPPYXMKYTKL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4,4-dichlorobutan-2-amine
CID 162493357
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide
CID 138980776
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
N-benzyl-5-methylhexan-2-amine
CID 43177530
4-(benzylamino)pentan-1-ol
CID 75356500
N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 67841656
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-phenylbutan-1-ol?
The IUPAC name of 3-(benzylamino)-1-phenylbutan-1-ol (CID 70615080) is 3-(benzylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 3-(benzylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 3-(benzylamino)-1-phenylbutan-1-ol is CC(CC(O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-1-phenylbutan-1-ol?
The InChIKey is IFPOPPYXMKYTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16/h2-11,14,17-19H,12-13H2,1H3.
What are the key properties of 3-(benzylamino)-1-phenylbutan-1-ol?
3-(benzylamino)-1-phenylbutan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 70615080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).