1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine

C11H15BrFNO — CID 117441916

IUPAC1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)c(F)c1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,14)6-7-4-5-8(15-3)9(12)10(7)13/h4-5H,6,14H2,1-3H3
InChIKeyYCAUQSFPOPGRND-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.88
Rot. Bonds3

About 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine

1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117441916) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117441916
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)c(F)c1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,14)6-7-4-5-8(15-3)9(12)10(7)13/h4-5H,6,14H2,1-3H3
InChIKeyYCAUQSFPOPGRND-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-fluoro-4-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

1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
CID 117378161
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
1-(3-bromo-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 84805284
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine (CID 117441916) is 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(C)N)c(F)c1Br.
What is the InChIKey of 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is YCAUQSFPOPGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,14)6-7-4-5-8(15-3)9(12)10(7)13/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 276.15 g/mol, XLogP of 2.88, 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-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117441916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).