(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine

C10H14BrNO2 — CID 95466503

IUPAC(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-13-6-9(12)7-3-4-10(14-2)8(11)5-7/h3-5,9H,6,12H2,1-2H3/t9-/m1/s1
InChIKeyVOGPLRCMUUHOQC-SECBINFHSA-N
MW260.13 g/mol
LogP2.10
Rot. Bonds4

About (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine

(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine (PubChem CID 95466503) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
PubChem CID95466503
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-13-6-9(12)7-3-4-10(14-2)8(11)5-7/h3-5,9H,6,12H2,1-2H3/t9-/m1/s1
InChIKeyVOGPLRCMUUHOQC-SECBINFHSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
(1R)-1-(3-bromo-4-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171205902
1-(3-bromo-4-methoxyphenyl)but-3-yn-1-amine
CID 114977597
(3R)-3-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 131168095
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine (CID 95466503) is (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine is COC[C@@H](N)c1ccc(OC)c(Br)c1.
What is the InChIKey of (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine?
The InChIKey is VOGPLRCMUUHOQC-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-13-6-9(12)7-3-4-10(14-2)8(11)5-7/h3-5,9H,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine?
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine has a molecular weight of 260.13 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine is sourced from PubChem (CID 95466503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).