(2-bromo-4,5-dimethylphenyl)methanamine

C9H12BrN — CID 82627715

IUPAC(2-bromo-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Br)c(CN)cc1C
InChIInChI=1S/C9H12BrN/c1-6-3-8(5-11)9(10)4-7(6)2/h3-4H,5,11H2,1-2H3
InChIKeyDBIRPAFGMNOWDQ-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.52
Rot. Bonds1

About (2-bromo-4,5-dimethylphenyl)methanamine

(2-bromo-4,5-dimethylphenyl)methanamine (PubChem CID 82627715) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is (2-bromo-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethylphenyl)methanamine
PubChem CID82627715
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name(2-bromo-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Br)c(CN)cc1C
InChIInChI=1S/C9H12BrN/c1-6-3-8(5-11)9(10)4-7(6)2/h3-4H,5,11H2,1-2H3
InChIKeyDBIRPAFGMNOWDQ-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
(4-bromo-5-iodo-2-methylphenyl)methanamine
CID 171018168
(4-bromo-2-iodo-5-methylphenyl)methanamine
CID 171018926
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene
CID 83921853
(5-bromo-4-iodo-2-methylphenyl)methanamine
CID 171018435
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine
CID 83921907
5-(aminomethyl)-2-bromo-3,6-dimethylphenol
CID 84793496
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethylphenyl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethylphenyl)methanamine (CID 82627715) is (2-bromo-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethylphenyl)methanamine is Cc1cc(Br)c(CN)cc1C.
What is the InChIKey of (2-bromo-4,5-dimethylphenyl)methanamine?
The InChIKey is DBIRPAFGMNOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6-3-8(5-11)9(10)4-7(6)2/h3-4H,5,11H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethylphenyl)methanamine?
(2-bromo-4,5-dimethylphenyl)methanamine has a molecular weight of 214.11 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 82627715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).