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

C18H22ClN — CID 63408144

IUPAC1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(C)(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClN/c1-17(2,3)13-8-10-14(11-9-13)18(4,20)15-6-5-7-16(19)12-15/h5-12H,20H2,1-4H3
InChIKeyGRPYJSAXTRHILA-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.86
Rot. Bonds2

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

1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine (PubChem CID 63408144) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
PubChem CID63408144
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(C)(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClN/c1-17(2,3)13-8-10-14(11-9-13)18(4,20)15-6-5-7-16(19)12-15/h5-12H,20H2,1-4H3
InChIKeyGRPYJSAXTRHILA-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192
1-(3-chlorophenyl)-1-pyrimidin-5-ylethanamine
CID 62490873
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
1,1-diphenylethanamine
CID 12761172
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
1-chloro-3-tritylbenzene
CID 14737306
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine (CID 63408144) is 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine is CC(C)(C)c1ccc(C(C)(N)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine?
The InChIKey is GRPYJSAXTRHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-17(2,3)13-8-10-14(11-9-13)18(4,20)15-6-5-7-16(19)12-15/h5-12H,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine?
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 63408144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).