(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride

C9H12BrClFNO — CID 171225474

IUPAC(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CF)cc1Br.Cl
InChIInChI=1S/C9H11BrFNO.ClH/c1-13-9-3-2-6(4-7(9)10)8(12)5-11;/h2-4,8H,5,12H2,1H3;1H/t8-;/m0./s1
InChIKeyFDHYWOYHILWRFA-QRPNPIFTSA-N
MW284.56 g/mol
LogP2.85
Rot. Bonds3

About (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171225474) has the molecular formula C9H12BrClFNO and a molecular weight of 284.56 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171225474
Molecular FormulaC9H12BrClFNO
Molecular Weight284.56 g/mol
Exact Mass282.98
IUPAC Name(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CF)cc1Br.Cl
InChIInChI=1S/C9H11BrFNO.ClH/c1-13-9-3-2-6(4-7(9)10)8(12)5-11;/h2-4,8H,5,12H2,1H3;1H/t8-;/m0./s1
InChIKeyFDHYWOYHILWRFA-QRPNPIFTSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
(1R)-1-(3-bromo-4-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171205902
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 162344286
1-(3-bromo-4-methoxyphenyl)but-3-yn-1-amine
CID 114977597
(3R)-3-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 131168095
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride (CID 171225474) is (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride is COc1ccc([C@@H](N)CF)cc1Br.Cl.
What is the InChIKey of (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is FDHYWOYHILWRFA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11BrFNO.ClH/c1-13-9-3-2-6(4-7(9)10)8(12)5-11;/h2-4,8H,5,12H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 284.56 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171225474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).