(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine

C12H18BrNO — CID 171204790

IUPAC(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cc(Br)ccc1[C@H](N)CC(C)C
InChIInChI=1S/C12H18BrNO/c1-8(2)6-11(14)10-5-4-9(13)7-12(10)15-3/h4-5,7-8,11H,6,14H2,1-3H3/t11-/m1/s1
InChIKeyMJMNOMWZHGGIHR-LLVKDONJSA-N
MW272.19 g/mol
LogP3.50
Rot. Bonds4

About (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine

(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine (PubChem CID 171204790) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
PubChem CID171204790
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cc(Br)ccc1[C@H](N)CC(C)C
InChIInChI=1S/C12H18BrNO/c1-8(2)6-11(14)10-5-4-9(13)7-12(10)15-3/h4-5,7-8,11H,6,14H2,1-3H3/t11-/m1/s1
InChIKeyMJMNOMWZHGGIHR-LLVKDONJSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171201596
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
(3S)-3-amino-3-(4-bromo-2-methoxyphenyl)propanenitrile
CID 130749960
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
CID 114210883
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine (CID 171204790) is (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine is COc1cc(Br)ccc1[C@H](N)CC(C)C.
What is the InChIKey of (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is MJMNOMWZHGGIHR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)6-11(14)10-5-4-9(13)7-12(10)15-3/h4-5,7-8,11H,6,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine?
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.50, 4 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-methoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 171204790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).