(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine

C9H11BrClNO — CID 131128367

IUPAC(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cccc(Br)c1Cl
InChIInChI=1S/C9H11BrClNO/c1-13-5-8(12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3/t8-/m1/s1
InChIKeyYDOWZWQBLWGPLD-MRVPVSSYSA-N
MW264.55 g/mol
LogP2.75
Rot. Bonds3

About (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine

(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine (PubChem CID 131128367) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
PubChem CID131128367
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cccc(Br)c1Cl
InChIInChI=1S/C9H11BrClNO/c1-13-5-8(12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3/t8-/m1/s1
InChIKeyYDOWZWQBLWGPLD-MRVPVSSYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 115782025
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
CID 105008942
1-(3-bromo-2-chlorophenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044258
3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile
CID 131151165
1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
CID 130043791
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
2-(1-amino-2-methoxyethyl)-6-chlorophenol
CID 130061439
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine (CID 131128367) is (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine is COC[C@@H](N)c1cccc(Br)c1Cl.
What is the InChIKey of (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine?
The InChIKey is YDOWZWQBLWGPLD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-13-5-8(12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine?
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine has a molecular weight of 264.55 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 131128367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).