4-(4-phenylphenyl)-N-propylpentan-2-amine

C20H27N — CID 65453815

IUPAC4-(4-phenylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-14-21-17(3)15-16(2)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21H,4,14-15H2,1-3H3
InChIKeyCKSRDQORJNZAEQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.24
Rot. Bonds7

About 4-(4-phenylphenyl)-N-propylpentan-2-amine

4-(4-phenylphenyl)-N-propylpentan-2-amine (PubChem CID 65453815) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-N-propylpentan-2-amine
PubChem CID65453815
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(4-phenylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-14-21-17(3)15-16(2)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21H,4,14-15H2,1-3H3
InChIKeyCKSRDQORJNZAEQ-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
4-(4-phenylphenyl)pentan-2-amine
CID 65456648
1-(4-chloropentan-2-yl)-4-phenylbenzene
CID 65453819
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
1-hexan-2-yl-4-phenylbenzene
CID 57161678
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
4-(benzenesulfonyl)-N-propylpentan-2-amine
CID 64704973
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(4-phenylphenyl)-N-propylpentan-2-amine (CID 65453815) is 4-(4-phenylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(4-phenylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(4-phenylphenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-N-propylpentan-2-amine?
The InChIKey is CKSRDQORJNZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-14-21-17(3)15-16(2)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21H,4,14-15H2,1-3H3.
What are the key properties of 4-(4-phenylphenyl)-N-propylpentan-2-amine?
4-(4-phenylphenyl)-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 65453815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).