(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride

C10H14BrClFN — CID 171202134

IUPAC(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCc1ccc([C@H](N)CCF)c(Br)c1.Cl
InChIInChI=1S/C10H13BrFN.ClH/c1-7-2-3-8(9(11)6-7)10(13)4-5-12;/h2-3,6,10H,4-5,13H2,1H3;1H/t10-;/m1./s1
InChIKeyBJHZRJSKAVPFEB-HNCPQSOCSA-N
MW282.58 g/mol
LogP3.54
Rot. Bonds3

About (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171202134) has the molecular formula C10H14BrClFN and a molecular weight of 282.58 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171202134
Molecular FormulaC10H14BrClFN
Molecular Weight282.58 g/mol
Exact Mass281.00
IUPAC Name(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCc1ccc([C@H](N)CCF)c(Br)c1.Cl
InChIInChI=1S/C10H13BrFN.ClH/c1-7-2-3-8(9(11)6-7)10(13)4-5-12;/h2-3,6,10H,4-5,13H2,1H3;1H/t10-;/m1./s1
InChIKeyBJHZRJSKAVPFEB-HNCPQSOCSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
(1R)-1-(2-bromo-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202119
(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
CID 171202123
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
1-(2-bromo-4-methylphenyl)pent-4-yn-1-amine
CID 115859575
1-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride (CID 171202134) is (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride is Cc1ccc([C@H](N)CCF)c(Br)c1.Cl.
What is the InChIKey of (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is BJHZRJSKAVPFEB-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13BrFN.ClH/c1-7-2-3-8(9(11)6-7)10(13)4-5-12;/h2-3,6,10H,4-5,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 282.58 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171202134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).