3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine

C20H27N — CID 65039408

IUPAC3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-20(5-2,6-3)21-16-17-12-14-19(15-13-17)18-10-8-7-9-11-18/h7-15,21H,4-6,16H2,1-3H3
InChIKeySIYLESRYCWPPKQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.41
Rot. Bonds7

About 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine

3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine (PubChem CID 65039408) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
PubChem CID65039408
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-20(5-2,6-3)21-16-17-12-14-19(15-13-17)18-10-8-7-9-11-18/h7-15,21H,4-6,16H2,1-3H3
InChIKeySIYLESRYCWPPKQ-UHFFFAOYSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 65039298
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
CID 115134703
N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
CID 79984769
4-[(3-ethylpentan-3-ylamino)methyl]benzamide
CID 65039687
3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
CID 65039204
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
(4-phenylphenyl)methylhydrazine;hydrochloride
CID 71432751
N-[(4-bromophenyl)methyl]-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867232
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine (CID 65039408) is 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine?
The InChIKey is SIYLESRYCWPPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-20(5-2,6-3)21-16-17-12-14-19(15-13-17)18-10-8-7-9-11-18/h7-15,21H,4-6,16H2,1-3H3.
What are the key properties of 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine?
3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine has a molecular weight of 281.44 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 65039408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).