(4-bromo-3-chloro-5-methylphenyl)methanamine

C8H9BrClN — CID 171014391

IUPAC(4-bromo-3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(CN)cc(Cl)c1Br
InChIInChI=1S/C8H9BrClN/c1-5-2-6(4-11)3-7(10)8(5)9/h2-3H,4,11H2,1H3
InChIKeyGGVBYTNRFHHISO-UHFFFAOYSA-N
MW234.52 g/mol
LogP2.87
Rot. Bonds1

About (4-bromo-3-chloro-5-methylphenyl)methanamine

(4-bromo-3-chloro-5-methylphenyl)methanamine (PubChem CID 171014391) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is (4-bromo-3-chloro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-5-methylphenyl)methanamine
PubChem CID171014391
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name(4-bromo-3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(CN)cc(Cl)c1Br
InChIInChI=1S/C8H9BrClN/c1-5-2-6(4-11)3-7(10)8(5)9/h2-3H,4,11H2,1H3
InChIKeyGGVBYTNRFHHISO-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 55255766
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CID 171012664
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CID 50998614
4-(aminomethyl)-2-bromo-6-chlorobenzonitrile
CID 171013325
4-(aminomethyl)-2-methylaniline
CID 18727732
[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 102814623
[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine
CID 114364518
[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride
CID 166643067
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 114364238
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883
5-(aminomethyl)-2-bromo-3-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 114363734
[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone
CID 86104305

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-3-chloro-5-methylphenyl)methanamine (CID 171014391) is (4-bromo-3-chloro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-5-methylphenyl)methanamine is Cc1cc(CN)cc(Cl)c1Br.
What is the InChIKey of (4-bromo-3-chloro-5-methylphenyl)methanamine?
The InChIKey is GGVBYTNRFHHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-5-2-6(4-11)3-7(10)8(5)9/h2-3H,4,11H2,1H3.
What are the key properties of (4-bromo-3-chloro-5-methylphenyl)methanamine?
(4-bromo-3-chloro-5-methylphenyl)methanamine has a molecular weight of 234.52 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-5-methylphenyl)methanamine is sourced from PubChem (CID 171014391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).