(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine

C9H12BrFN2 — CID 130731681

IUPAC(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(Br)cc([C@@H](N)CN)c1F
InChIInChI=1S/C9H12BrFN2/c1-5-2-6(10)3-7(9(5)11)8(13)4-12/h2-3,8H,4,12-13H2,1H3/t8-/m0/s1
InChIKeyPPFYDIMEDDYIGM-QMMMGPOBSA-N
MW247.11 g/mol
LogP1.86
Rot. Bonds2

About (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine

(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 130731681) has the molecular formula C9H12BrFN2 and a molecular weight of 247.11 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
PubChem CID130731681
Molecular FormulaC9H12BrFN2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Name(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(Br)cc([C@@H](N)CN)c1F
InChIInChI=1S/C9H12BrFN2/c1-5-2-6(10)3-7(9(5)11)8(13)4-12/h2-3,8H,4,12-13H2,1H3/t8-/m0/s1
InChIKeyPPFYDIMEDDYIGM-QMMMGPOBSA-N
XLogP1.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171204956
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)butane-1,4-diamine
CID 171224532
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)pentane-1,5-diamine
CID 171204961
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 171204972
4-amino-4-(5-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468252
ethyl 3-amino-3-(5-bromo-2-fluoro-3-methylphenyl)propanoate;hydrochloride
CID 175588063
5-bromo-1-(1-bromoethyl)-2-fluoro-3-methylbenzene
CID 130140651
(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171224555
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
CID 66516916

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine (CID 130731681) is (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine is Cc1cc(Br)cc([C@@H](N)CN)c1F.
What is the InChIKey of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is PPFYDIMEDDYIGM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12BrFN2/c1-5-2-6(10)3-7(9(5)11)8(13)4-12/h2-3,8H,4,12-13H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine?
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 247.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 130731681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).