1-(3-benzylphenyl)ethanamine

C15H17N — CID 69109207

IUPAC1-(3-benzylphenyl)ethanamine
SMILESCC(N)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C15H17N/c1-12(16)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10,16H2,1H3
InChIKeyQCLNJTOZKSECJF-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-benzylphenyl)ethanamine

1-(3-benzylphenyl)ethanamine (PubChem CID 69109207) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(3-benzylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-benzylphenyl)ethanamine
PubChem CID69109207
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-(3-benzylphenyl)ethanamine
SMILESCC(N)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C15H17N/c1-12(16)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10,16H2,1H3
InChIKeyQCLNJTOZKSECJF-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-benzylphenyl)ethanamine
CID 3962419
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-benzyl-3-butan-2-ylbenzene
CID 15748559
1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
CID 64662525
1-(3-propylphenyl)ethanamine
CID 116543909
2-(3-benzylphenyl)propanal
CID 14882415
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylphenyl)ethanamine?
The IUPAC name of 1-(3-benzylphenyl)ethanamine (CID 69109207) is 1-(3-benzylphenyl)ethanamine.
What is the SMILES notation for 1-(3-benzylphenyl)ethanamine?
The canonical SMILES for 1-(3-benzylphenyl)ethanamine is CC(N)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-(3-benzylphenyl)ethanamine?
The InChIKey is QCLNJTOZKSECJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12(16)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10,16H2,1H3.
What are the key properties of 1-(3-benzylphenyl)ethanamine?
1-(3-benzylphenyl)ethanamine has a molecular weight of 211.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)ethanamine is sourced from PubChem (CID 69109207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).