(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine

C9H11BrClN — CID 130690836

IUPAC(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
SMILESCN[C@H](C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN/c1-6(12-2)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyARTKAVHYLWGKNT-ZCFIWIBFSA-N
MW248.55 g/mol
LogP3.38
Rot. Bonds2

About (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine

(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine (PubChem CID 130690836) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
PubChem CID130690836
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
SMILESCN[C@H](C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN/c1-6(12-2)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyARTKAVHYLWGKNT-ZCFIWIBFSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
CID 130740818
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
CID 107476135
1-(4-bromo-3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 81291392
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-(3,5-dibromophenyl)-N-methylethanamine
CID 23147742

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine (CID 130690836) is (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine is CN[C@H](C)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine?
The InChIKey is ARTKAVHYLWGKNT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6(12-2)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine?
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine has a molecular weight of 248.55 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 130690836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).