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

C8H11BrClFN2 — CID 171220747

IUPAC(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(F)cc1Br
InChIInChI=1S/C8H10BrFN2.ClH/c9-7-3-5(10)1-2-6(7)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m0./s1
InChIKeyBPPBZWZZWYVRJF-QRPNPIFTSA-N
MW269.55 g/mol
LogP1.97
Rot. Bonds2

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

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171220747) has the molecular formula C8H11BrClFN2 and a molecular weight of 269.55 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171220747
Molecular FormulaC8H11BrClFN2
Molecular Weight269.55 g/mol
Exact Mass267.98
IUPAC Name(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(F)cc1Br
InChIInChI=1S/C8H10BrFN2.ClH/c9-7-3-5(10)1-2-6(7)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m0./s1
InChIKeyBPPBZWZZWYVRJF-QRPNPIFTSA-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

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2-bromo-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 105013400
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-1-amine
CID 105004259
ethyl (3S)-3-amino-3-(2-bromo-4-fluorophenyl)propanoate;hydrochloride
CID 171220782
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride (CID 171220747) is (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@H](N)c1ccc(F)cc1Br.
What is the InChIKey of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is BPPBZWZZWYVRJF-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H10BrFN2.ClH/c9-7-3-5(10)1-2-6(7)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(2-bromo-4-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 (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171220747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).