(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine

C10H14BrNO — CID 28881228

IUPAC(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6,9H,3,12H2,1-2H3/t9-/m1/s1
InChIKeyUVRCKYRPBOUAQV-SECBINFHSA-N
MW244.13 g/mol
LogP2.87
Rot. Bonds3

About (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine

(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine (PubChem CID 28881228) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
PubChem CID28881228
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6,9H,3,12H2,1-2H3/t9-/m1/s1
InChIKeyUVRCKYRPBOUAQV-SECBINFHSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(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
methyl (3S)-3-amino-3-(3-bromo-4-methoxyphenyl)propanoate
CID 93454839
1-(3-bromo-4-methoxyphenyl)but-3-yn-1-amine
CID 114977597
(3R)-3-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 131168095
(1R)-1-(3-bromo-4-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171205902
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 (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine (CID 28881228) is (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine is CC[C@@H](N)c1ccc(OC)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine?
The InChIKey is UVRCKYRPBOUAQV-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6,9H,3,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine?
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 28881228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).