(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride

C8H11BrClFN2 — CID 171201771

IUPAC(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1ccc(Br)c(F)c1
InChIInChI=1S/C8H10BrFN2.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1
InChIKeyQFBYCKBWZWTESU-DDWIOCJRSA-N
MW269.55 g/mol
LogP1.97
Rot. Bonds2

About (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171201771) has the molecular formula C8H11BrClFN2 and a molecular weight of 269.55 g/mol. Its IUPAC name is (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171201771
Molecular FormulaC8H11BrClFN2
Molecular Weight269.55 g/mol
Exact Mass267.98
IUPAC Name(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1ccc(Br)c(F)c1
InChIInChI=1S/C8H10BrFN2.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1
InChIKeyQFBYCKBWZWTESU-DDWIOCJRSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromo-3-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171221316
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
(3R)-3-amino-3-(4-bromo-3-fluorophenyl)propanenitrile
CID 131054714
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
(1S)-1-(4-amino-3-bromophenyl)ethane-1,2-diamine
CID 130674111
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride (CID 171201771) is (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@@H](N)c1ccc(Br)c(F)c1.
What is the InChIKey of (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is QFBYCKBWZWTESU-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H10BrFN2.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 269.55 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171201771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).