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

C20H27N — CID 116542976

IUPAC1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1cccc(CC(C)C)c1
InChIInChI=1S/C20H27N/c1-4-13-20(21,18-10-6-5-7-11-18)19-12-8-9-17(15-19)14-16(2)3/h5-12,15-16H,4,13-14,21H2,1-3H3
InChIKeyLYJWFLQYSSATQD-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.89
Rot. Bonds6

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

1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine (PubChem CID 116542976) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine
PubChem CID116542976
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1cccc(CC(C)C)c1
InChIInChI=1S/C20H27N/c1-4-13-20(21,18-10-6-5-7-11-18)19-12-8-9-17(15-19)14-16(2)3/h5-12,15-16H,4,13-14,21H2,1-3H3
InChIKeyLYJWFLQYSSATQD-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine (CID 116542976) is 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1cccc(CC(C)C)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine?
The InChIKey is LYJWFLQYSSATQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-13-20(21,18-10-6-5-7-11-18)19-12-8-9-17(15-19)14-16(2)3/h5-12,15-16H,4,13-14,21H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine?
1-[3-(2-methylpropyl)phenyl]-1-phenylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.89, 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]-1-phenylbutan-1-amine is sourced from PubChem (CID 116542976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).