(1S)-1-(4-benzylphenyl)propan-1-amine

C16H19N — CID 79018348

IUPAC(1S)-1-(4-benzylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-2-16(17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,16H,2,12,17H2,1H3/t16-/m0/s1
InChIKeyIZHYYLZHXHXBSF-INIZCTEOSA-N
MW225.34 g/mol
LogP3.69
Rot. Bonds4

About (1S)-1-(4-benzylphenyl)propan-1-amine

(1S)-1-(4-benzylphenyl)propan-1-amine (PubChem CID 79018348) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (1S)-1-(4-benzylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-benzylphenyl)propan-1-amine
PubChem CID79018348
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(1S)-1-(4-benzylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-2-16(17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,16H,2,12,17H2,1H3/t16-/m0/s1
InChIKeyIZHYYLZHXHXBSF-INIZCTEOSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-(4-benzylphenyl)ethanamine
CID 3962419
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494
1-amino-1-(4-benzylphenyl)butan-2-one
CID 174899338
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine
CID 66512282
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-benzylphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-benzylphenyl)propan-1-amine (CID 79018348) is (1S)-1-(4-benzylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-benzylphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-benzylphenyl)propan-1-amine is CC[C@H](N)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-benzylphenyl)propan-1-amine?
The InChIKey is IZHYYLZHXHXBSF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N/c1-2-16(17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,16H,2,12,17H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-(4-benzylphenyl)propan-1-amine?
(1S)-1-(4-benzylphenyl)propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-benzylphenyl)propan-1-amine is sourced from PubChem (CID 79018348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).