1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine

C15H14BrCl2N — CID 106867036

IUPAC1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-2-3-10(13(17)6-9)7-15(19)12-5-4-11(16)8-14(12)18/h2-6,8,15H,7,19H2,1H3
InChIKeyLREOZQZCRVDOJU-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.31
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine (PubChem CID 106867036) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
PubChem CID106867036
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-2-3-10(13(17)6-9)7-15(19)12-5-4-11(16)8-14(12)18/h2-6,8,15H,7,19H2,1H3
InChIKeyLREOZQZCRVDOJU-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
[2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105335180
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine (CID 106867036) is 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2ccc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The InChIKey is LREOZQZCRVDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-9-2-3-10(13(17)6-9)7-15(19)12-5-4-11(16)8-14(12)18/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine is sourced from PubChem (CID 106867036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).