1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine

C18H22ClN — CID 82541614

IUPAC1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22ClN/c1-12(20)14-7-10-17(19)16(11-14)13-5-8-15(9-6-13)18(2,3)4/h5-12H,20H2,1-4H3
InChIKeyCZHJRUTYTKWBSE-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.32
Rot. Bonds2

About 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine

1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine (PubChem CID 82541614) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
PubChem CID82541614
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22ClN/c1-12(20)14-7-10-17(19)16(11-14)13-5-8-15(9-6-13)18(2,3)4/h5-12H,20H2,1-4H3
InChIKeyCZHJRUTYTKWBSE-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine 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

4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene
CID 176593095
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
4-(1-aminoethyl)-2-(4-chlorophenyl)phenol
CID 115046197
1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 82541625
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-(4-tert-butylphenyl)propane-1,2-diamine
CID 20546388

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine?
The IUPAC name of 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine (CID 82541614) is 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine?
The canonical SMILES for 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine is CC(N)c1ccc(Cl)c(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine?
The InChIKey is CZHJRUTYTKWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12(20)14-7-10-17(19)16(11-14)13-5-8-15(9-6-13)18(2,3)4/h5-12H,20H2,1-4H3.
What are the key properties of 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine?
1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine is sourced from PubChem (CID 82541614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).