1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine

C19H25N — CID 116544087

IUPAC1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
SMILESCC(C)Cc1cccc(C(N)CCc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15(2)13-17-9-6-10-18(14-17)19(20)12-11-16-7-4-3-5-8-16/h3-10,14-15,19H,11-13,20H2,1-2H3
InChIKeyQWUNNKZQXWISED-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.52
Rot. Bonds6

About 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine

1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine (PubChem CID 116544087) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
PubChem CID116544087
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
SMILESCC(C)Cc1cccc(C(N)CCc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15(2)13-17-9-6-10-18(14-17)19(20)12-11-16-7-4-3-5-8-16/h3-10,14-15,19H,11-13,20H2,1-2H3
InChIKeyQWUNNKZQXWISED-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
CID 75598820
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050722
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
1-[3-(2-methylpropyl)phenyl]hexan-3-amine
CID 116545725
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine (CID 116544087) is 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine is CC(C)Cc1cccc(C(N)CCc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
The InChIKey is QWUNNKZQXWISED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15(2)13-17-9-6-10-18(14-17)19(20)12-11-16-7-4-3-5-8-16/h3-10,14-15,19H,11-13,20H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 116544087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).