(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine

C14H13BrClN — CID 115794636

IUPAC(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClN/c1-9-4-2-3-5-11(9)14(17)12-8-10(15)6-7-13(12)16/h2-8,14H,17H2,1H3
InChIKeyJSALMLMEOFXFML-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.46
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine

(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine (PubChem CID 115794636) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine
PubChem CID115794636
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClN/c1-9-4-2-3-5-11(9)14(17)12-8-10(15)6-7-13(12)16/h2-8,14H,17H2,1H3
InChIKeyJSALMLMEOFXFML-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218
(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine
CID 145201841
5-Bromo-I+/--(4-chlorophenyl)-2-fluorobenzenemethanamine
CID 24692201
(4-Bromophenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 24693084
(4-Bromophenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 24704521
(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649069

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine (CID 115794636) is (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine?
The InChIKey is JSALMLMEOFXFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-9-4-2-3-5-11(9)14(17)12-8-10(15)6-7-13(12)16/h2-8,14H,17H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine?
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine has a molecular weight of 310.62 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 115794636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).