(4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride

C8H10BrClFN — CID 146049841

IUPAC(4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride
SMILESCc1c(Br)ccc(CN)c1F.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-5-7(9)3-2-6(4-11)8(5)10;/h2-3H,4,11H2,1H3;1H
InChIKeyYEFHVEWEGFFQCJ-UHFFFAOYSA-N
MW254.53 g/mol
LogP2.78
Rot. Bonds1

About (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride

(4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride (PubChem CID 146049841) has the molecular formula C8H10BrClFN and a molecular weight of 254.53 g/mol. Its IUPAC name is (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride
PubChem CID146049841
Molecular FormulaC8H10BrClFN
Molecular Weight254.53 g/mol
Exact Mass252.97
IUPAC Name(4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride
SMILESCc1c(Br)ccc(CN)c1F.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-5-7(9)3-2-6(4-11)8(5)10;/h2-3H,4,11H2,1H3;1H
InChIKeyYEFHVEWEGFFQCJ-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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride (CID 146049841) is (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride is Cc1c(Br)ccc(CN)c1F.Cl.
What is the InChIKey of (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride?
The InChIKey is YEFHVEWEGFFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN.ClH/c1-5-7(9)3-2-6(4-11)8(5)10;/h2-3H,4,11H2,1H3;1H.
What are the key properties of (4-bromo-2-fluoro-3-methylphenyl)methanamine;hydrochloride?
(4-bromo-2-fluoro-3-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-3-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 146049841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).