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

C14H13BrClN — CID 114026959

IUPAC(2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClN/c1-9-4-2-3-5-11(9)14(17)12-8-10(16)6-7-13(12)15/h2-8,14H,17H2,1H3
InChIKeyMAORLGARTFRGSH-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.46
Rot. Bonds2

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

(2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine (PubChem CID 114026959) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine
PubChem CID114026959
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name(2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClN/c1-9-4-2-3-5-11(9)14(17)12-8-10(16)6-7-13(12)15/h2-8,14H,17H2,1H3
InChIKeyMAORLGARTFRGSH-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

(2-Bromo-5-chlorophenyl)methanamine
CID 65811418
2-(2-Bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 71756730
(1R)-1-(2-bromo-5-chlorophenyl)propan-1-amine hydrochloride
CID 121362480
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
2-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 66160453
(1R)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022360
(1S)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022362
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine
CID 145201841
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
(4-Bromophenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 24709830
(2-Bromo-4-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24710844

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine?
The IUPAC name of (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine (CID 114026959) is (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine?
The InChIKey is MAORLGARTFRGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-9-4-2-3-5-11(9)14(17)12-8-10(16)6-7-13(12)15/h2-8,14H,17H2,1H3.
What are the key properties of (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine?
(2-bromo-5-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 (2-bromo-5-chlorophenyl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 114026959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).