1-(2-methylphenyl)-3-phenylpropan-1-amine

C16H19N — CID 54919026

IUPAC1-(2-methylphenyl)-3-phenylpropan-1-amine
SMILESCc1ccccc1C(N)CCc1ccccc1
InChIInChI=1S/C16H19N/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10,16H,11-12,17H2,1H3
InChIKeyQSIDBKRDZCNGJH-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-methylphenyl)-3-phenylpropan-1-amine

1-(2-methylphenyl)-3-phenylpropan-1-amine (PubChem CID 54919026) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-phenylpropan-1-amine
PubChem CID54919026
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-(2-methylphenyl)-3-phenylpropan-1-amine
SMILESCc1ccccc1C(N)CCc1ccccc1
InChIInChI=1S/C16H19N/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10,16H,11-12,17H2,1H3
InChIKeyQSIDBKRDZCNGJH-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
CID 104789711
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
1-(2-methylphenyl)nonan-1-amine
CID 63412316
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
1-(2-methylphenyl)hex-4-yn-1-amine
CID 104804509
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-methylphenyl)-3-phenylpropan-1-amine (CID 54919026) is 1-(2-methylphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-methylphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-methylphenyl)-3-phenylpropan-1-amine is Cc1ccccc1C(N)CCc1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-3-phenylpropan-1-amine?
The InChIKey is QSIDBKRDZCNGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10,16H,11-12,17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-phenylpropan-1-amine?
1-(2-methylphenyl)-3-phenylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 54919026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).