1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine

C11H16BrNO — CID 82623586

IUPAC1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1c(Br)cccc1CC(C)(C)N
InChIInChI=1S/C11H16BrNO/c1-11(2,13)7-8-5-4-6-9(12)10(8)14-3/h4-6H,7,13H2,1-3H3
InChIKeySZCKYEJIIOWKPI-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine

1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 82623586) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID82623586
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1c(Br)cccc1CC(C)(C)N
InChIInChI=1S/C11H16BrNO/c1-11(2,13)7-8-5-4-6-9(12)10(8)14-3/h4-6H,7,13H2,1-3H3
InChIKeySZCKYEJIIOWKPI-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-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

(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
(3-bromo-2-methoxyphenyl)methyl N-tert-butylcarbamate
CID 170157678
1-bromo-2-methoxy-3-(nitrosomethyl)benzene
CID 88892699
1-(3-bromo-2-methoxyphenyl)propan-2-ol
CID 83675437
1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine
CID 117421050
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
1-(4-methoxy-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577379

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine (CID 82623586) is 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine is COc1c(Br)cccc1CC(C)(C)N.
What is the InChIKey of 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is SZCKYEJIIOWKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,13)7-8-5-4-6-9(12)10(8)14-3/h4-6H,7,13H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 82623586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).