(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine

C9H11BrClNO — CID 130839573

IUPAC(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyYDQMIEAKVHHQBN-VIFPVBQESA-N
MW264.55 g/mol
LogP2.75
Rot. Bonds3

About (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine

(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine (PubChem CID 130839573) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
PubChem CID130839573
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyYDQMIEAKVHHQBN-VIFPVBQESA-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

2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
(1S)-1-(4-bromo-2-chlorophenyl)-3-methylbut-3-en-1-amine
CID 131436877
(1R)-1-(4-bromo-2-chlorophenyl)-3-methylbut-3-en-1-amine
CID 131299254
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine?
The IUPAC name of (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine (CID 130839573) is (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine is COC[C@H](N)c1ccc(Br)cc1Cl.
What is the InChIKey of (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine?
The InChIKey is YDQMIEAKVHHQBN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,9H,5,12H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine?
(1R)-1-(4-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 (1R)-1-(4-bromo-2-chlorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 130839573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).