(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine

C9H11Br2NO — CID 131077040

IUPAC(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H11Br2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3/t9-/m1/s1
InChIKeyFUXRKFXMBZYQNC-SECBINFHSA-N
MW309.00 g/mol
LogP2.86
Rot. Bonds3

About (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine

(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine (PubChem CID 131077040) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
PubChem CID131077040
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H11Br2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3/t9-/m1/s1
InChIKeyFUXRKFXMBZYQNC-SECBINFHSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-amino-2-methoxyethyl]-5-bromobenzonitrile
CID 131081660
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
1-(2,6-dimethyl-4-pyridinyl)-2-methoxyethanamine
CID 107503103
4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
CID 131118509
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine (CID 131077040) is (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine is COC[C@@H](N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine?
The InChIKey is FUXRKFXMBZYQNC-SECBINFHSA-N. The full InChI is InChI=1S/C9H11Br2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine?
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine has a molecular weight of 309.00 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine is sourced from PubChem (CID 131077040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).