2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine

C20H27N — CID 63417946

IUPAC2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
SMILESCCc1ccc(C(N)C(CC)(CC)c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-16-12-14-17(15-13-16)19(21)20(5-2,6-3)18-10-8-7-9-11-18/h7-15,19H,4-6,21H2,1-3H3
InChIKeyPJCCMIYLJBVZOS-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.01
Rot. Bonds6

About 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine

2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine (PubChem CID 63417946) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
PubChem CID63417946
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
SMILESCCc1ccc(C(N)C(CC)(CC)c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-16-12-14-17(15-13-16)19(21)20(5-2,6-3)18-10-8-7-9-11-18/h7-15,19H,4-6,21H2,1-3H3
InChIKeyPJCCMIYLJBVZOS-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
CID 63081353
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
CID 65477714
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
1-(3-chlorothiophen-2-yl)-2-ethyl-2-phenylbutan-1-amine
CID 107359724
2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine
CID 63968398
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 63085891

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine (CID 63417946) is 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine is CCc1ccc(C(N)C(CC)(CC)c2ccccc2)cc1.
What is the InChIKey of 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine?
The InChIKey is PJCCMIYLJBVZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-16-12-14-17(15-13-16)19(21)20(5-2,6-3)18-10-8-7-9-11-18/h7-15,19H,4-6,21H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine?
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 63417946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).