3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine

C11H15BrFNO — CID 83904412

IUPAC3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1c(F)cc(CC(C)CN)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-7(6-14)3-8-4-9(12)11(15-2)10(13)5-8/h4-5,7H,3,6,14H2,1-2H3
InChIKeyKZCCNMLJCWGPFJ-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.73
Rot. Bonds4

About 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine

3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 83904412) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID83904412
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1c(F)cc(CC(C)CN)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-7(6-14)3-8-4-9(12)11(15-2)10(13)5-8/h4-5,7H,3,6,14H2,1-2H3
InChIKeyKZCCNMLJCWGPFJ-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83904413
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
3-(3-bromo-5-fluoro-4-methoxyphenyl)propanal
CID 117406402
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
CID 69245767
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine (CID 83904412) is 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine is COc1c(F)cc(CC(C)CN)cc1Br.
What is the InChIKey of 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is KZCCNMLJCWGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(6-14)3-8-4-9(12)11(15-2)10(13)5-8/h4-5,7H,3,6,14H2,1-2H3.
What are the key properties of 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine?
3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluoro-4-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83904412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).