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

C8H10BrFN2 — CID 66517956

IUPAC(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(F)cc1Br
InChIInChI=1S/C8H10BrFN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyDAPFBRCCNZYDCI-QMMMGPOBSA-N
MW233.08 g/mol
LogP1.55
Rot. Bonds2

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

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine (PubChem CID 66517956) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
PubChem CID66517956
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(F)cc1Br
InChIInChI=1S/C8H10BrFN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyDAPFBRCCNZYDCI-QMMMGPOBSA-N
XLogP1.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
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
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine (CID 66517956) is (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine is NC[C@H](N)c1ccc(F)cc1Br.
What is the InChIKey of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is DAPFBRCCNZYDCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10BrFN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine?
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 233.08 g/mol, XLogP of 1.55, 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 is sourced from PubChem (CID 66517956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).