(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine

C15H13Br2ClFN — CID 145201841

IUPAC(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine
SMILESCc1cc(Br)cc(F)c1[C@H](N)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C15H13Br2ClFN/c1-8-4-10(16)7-13(19)15(8)14(20)6-9-5-11(18)2-3-12(9)17/h2-5,7,14H,6,20H2,1H3/t14-/m1/s1
InChIKeyXSEBYZDENLZHFQ-CQSZACIVSA-N
MW421.54 g/mol
LogP5.56
Rot. Bonds3

About (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine

(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine (PubChem CID 145201841) has the molecular formula C15H13Br2ClFN and a molecular weight of 421.54 g/mol. Its IUPAC name is (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine
PubChem CID145201841
Molecular FormulaC15H13Br2ClFN
Molecular Weight421.54 g/mol
Exact Mass418.91
IUPAC Name(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine
SMILESCc1cc(Br)cc(F)c1[C@H](N)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C15H13Br2ClFN/c1-8-4-10(16)7-13(19)15(8)14(20)6-9-5-11(18)2-3-12(9)17/h2-5,7,14H,6,20H2,1H3/t14-/m1/s1
InChIKeyXSEBYZDENLZHFQ-CQSZACIVSA-N
XLogP5.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-5-chlorophenyl)propan-1-amine hydrochloride
CID 121362480
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
(1R)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022360
(1S)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022362
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
CID 123279976
5-Bromo-I+/--(4-chlorophenyl)-2-fluorobenzenemethanamine
CID 24692201
(4-Bromophenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 24693084
(4-Bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24697243
(4-Bromophenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 24704521
(4-Bromophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 24709014
(4-Bromophenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 24709830

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine?
The IUPAC name of (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine (CID 145201841) is (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine?
The canonical SMILES for (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine is Cc1cc(Br)cc(F)c1[C@H](N)Cc1cc(Cl)ccc1Br.
What is the InChIKey of (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine?
The InChIKey is XSEBYZDENLZHFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13Br2ClFN/c1-8-4-10(16)7-13(19)15(8)14(20)6-9-5-11(18)2-3-12(9)17/h2-5,7,14H,6,20H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine?
(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine has a molecular weight of 421.54 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine is sourced from PubChem (CID 145201841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).