1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine

C18H22ClN — CID 63418123

IUPAC1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-3-18(4-2,14-10-6-5-7-11-14)17(20)15-12-8-9-13-16(15)19/h5-13,17H,3-4,20H2,1-2H3
InChIKeyYNJZDRHTZUEQRB-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.10
Rot. Bonds5

About 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine

1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine (PubChem CID 63418123) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
PubChem CID63418123
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-3-18(4-2,14-10-6-5-7-11-14)17(20)15-12-8-9-13-16(15)19/h5-13,17H,3-4,20H2,1-2H3
InChIKeyYNJZDRHTZUEQRB-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-2-ethyl-2-phenylbutan-1-amine
CID 107359724
1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
CID 116760606
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
CID 63417946
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79061666
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine
CID 63968398
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine (CID 63418123) is 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine?
The InChIKey is YNJZDRHTZUEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-18(4-2,14-10-6-5-7-11-14)17(20)15-12-8-9-13-16(15)19/h5-13,17H,3-4,20H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine?
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 63418123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).