2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine

C15H15BrClN — CID 82883536

IUPAC2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrClN/c1-10-2-7-13(17)9-14(10)15(18)8-11-3-5-12(16)6-4-11/h2-7,9,15H,8,18H2,1H3
InChIKeyDBMWQUCQVFWQIY-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine

2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine (PubChem CID 82883536) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
PubChem CID82883536
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrClN/c1-10-2-7-13(17)9-14(10)15(18)8-11-3-5-12(16)6-4-11/h2-7,9,15H,8,18H2,1H3
InChIKeyDBMWQUCQVFWQIY-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
CID 82891112
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024568
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine (CID 82883536) is 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine is Cc1ccc(Cl)cc1C(N)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
The InChIKey is DBMWQUCQVFWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-2-7-13(17)9-14(10)15(18)8-11-3-5-12(16)6-4-11/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine is sourced from PubChem (CID 82883536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).