(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride

C8H10BrClFN — CID 171906157

IUPAC(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
SMILESCc1cc(CN)c(F)cc1Br.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-5-2-6(4-11)8(10)3-7(5)9;/h2-3H,4,11H2,1H3;1H
InChIKeySSXHENWTHCYSNK-UHFFFAOYSA-N
MW254.53 g/mol
LogP2.78
Rot. Bonds1

About (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride

(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride (PubChem CID 171906157) has the molecular formula C8H10BrClFN and a molecular weight of 254.53 g/mol. Its IUPAC name is (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
PubChem CID171906157
Molecular FormulaC8H10BrClFN
Molecular Weight254.53 g/mol
Exact Mass252.97
IUPAC Name(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
SMILESCc1cc(CN)c(F)cc1Br.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-5-2-6(4-11)8(10)3-7(5)9;/h2-3H,4,11H2,1H3;1H
InChIKeySSXHENWTHCYSNK-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
(4-bromo-2-iodo-5-methylphenyl)methanamine
CID 171018926
(2-bromo-4,5-dimethylphenyl)methanamine
CID 82627715
1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
CID 130090932
N-[(4-bromo-2-fluoro-5-methylphenyl)methyl]-2-methylpropan-1-amine
CID 171906163
4-bromo-2-fluoro-5-methylaniline;ethane
CID 177009828
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
ethyl N-[2-(4-bromo-2-fluoro-5-methylphenyl)acetyl]carbamate
CID 164544890
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
CID 157181289
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431
(4-bromo-2-fluoro-5-methylphenyl)hydrazine
CID 68557419

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride (CID 171906157) is (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride is Cc1cc(CN)c(F)cc1Br.Cl.
What is the InChIKey of (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride?
The InChIKey is SSXHENWTHCYSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN.ClH/c1-5-2-6(4-11)8(10)3-7(5)9;/h2-3H,4,11H2,1H3;1H.
What are the key properties of (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride?
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride has a molecular weight of 254.53 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171906157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).