(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride

C8H11BrClFN2 — CID 171200599

IUPAC(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1cc(Br)ccc1F
InChIInChI=1S/C8H10BrFN2.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1
InChIKeyFKMUJNFVOPZNKA-DDWIOCJRSA-N
MW269.54 g/mol
LogP1.97
Rot. Bonds2

About (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171200599) has the molecular formula C8H11BrClFN2 and a molecular weight of 269.54 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171200599
Molecular FormulaC8H11BrClFN2
Molecular Weight269.54 g/mol
Exact Mass267.98
IUPAC Name(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1cc(Br)ccc1F
InChIInChI=1S/C8H10BrFN2.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1
InChIKeyFKMUJNFVOPZNKA-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 ≤ 500269.54
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine
CID 79742207
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141
1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride (CID 171200599) is (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@@H](N)c1cc(Br)ccc1F.
What is the InChIKey of (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is FKMUJNFVOPZNKA-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H10BrFN2.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 269.54 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-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171200599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).