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

C12H17BrFNO2 — CID 117491337

IUPAC1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(F)c(Br)c1OC
InChIInChI=1S/C12H17BrFNO2/c1-12(2,15)6-7-5-8(16-3)11(17-4)9(13)10(7)14/h5H,6,15H2,1-4H3
InChIKeyTYWVPFXNNYZXFE-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.89
Rot. Bonds4

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

1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117491337) has the molecular formula C12H17BrFNO2 and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
PubChem CID117491337
Molecular FormulaC12H17BrFNO2
Molecular Weight306.18 g/mol
Exact Mass305.04
IUPAC Name1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(F)c(Br)c1OC
InChIInChI=1S/C12H17BrFNO2/c1-12(2,15)6-7-5-8(16-3)11(17-4)9(13)10(7)14/h5H,6,15H2,1-4H3
InChIKeyTYWVPFXNNYZXFE-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117391659
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine (CID 117491337) is 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)c(F)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is TYWVPFXNNYZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2/c1-12(2,15)6-7-5-8(16-3)11(17-4)9(13)10(7)14/h5H,6,15H2,1-4H3.
What are the key properties of 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine?
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 306.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117491337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).