3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine

C19H25N — CID 82140241

IUPAC3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1ccc(C(CN)C(C)c2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-14(2)16-9-11-18(12-10-16)19(13-20)15(3)17-7-5-4-6-8-17/h4-12,14-15,19H,13,20H2,1-3H3
InChIKeyZWUWSHBFDQYHSB-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.66
Rot. Bonds5

About 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine

3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 82140241) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID82140241
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1ccc(C(CN)C(C)c2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-14(2)16-9-11-18(12-10-16)19(13-20)15(3)17-7-5-4-6-8-17/h4-12,14-15,19H,13,20H2,1-3H3
InChIKeyZWUWSHBFDQYHSB-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
CID 82140242
CID 174377533
CID 174377533
2-fluoro-3-phenylbutan-1-amine
CID 126843894
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
4-(4-ethylphenyl)-3-phenylpentan-1-amine
CID 57150711

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine (CID 82140241) is 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine is CC(C)c1ccc(C(CN)C(C)c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is ZWUWSHBFDQYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-14(2)16-9-11-18(12-10-16)19(13-20)15(3)17-7-5-4-6-8-17/h4-12,14-15,19H,13,20H2,1-3H3.
What are the key properties of 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine?
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 82140241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).