3-[(4-phenylphenyl)methylamino]butan-1-ol

C17H21NO — CID 78998247

IUPAC3-[(4-phenylphenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(11-12-19)18-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13H2,1H3
InChIKeyOZZJFOKRGMVOEB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.21
Rot. Bonds6

About 3-[(4-phenylphenyl)methylamino]butan-1-ol

3-[(4-phenylphenyl)methylamino]butan-1-ol (PubChem CID 78998247) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methylamino]butan-1-ol
PubChem CID78998247
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[(4-phenylphenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(11-12-19)18-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13H2,1H3
InChIKeyOZZJFOKRGMVOEB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283
4-(benzylamino)pentan-1-ol
CID 75356500
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]benzonitrile
CID 103854827
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol
CID 78997739
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
N-benzyl-5-methylhexan-2-amine
CID 43177530

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(4-phenylphenyl)methylamino]butan-1-ol (CID 78998247) is 3-[(4-phenylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(4-phenylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(4-phenylphenyl)methylamino]butan-1-ol is CC(CCO)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenyl)methylamino]butan-1-ol?
The InChIKey is OZZJFOKRGMVOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(11-12-19)18-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13H2,1H3.
What are the key properties of 3-[(4-phenylphenyl)methylamino]butan-1-ol?
3-[(4-phenylphenyl)methylamino]butan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 78998247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).