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

C12H18BrNO2 — CID 117465340

IUPAC1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(Br)c(OC)c(CC(C)(C)N)c1
InChIInChI=1S/C12H18BrNO2/c1-12(2,14)7-8-5-9(15-3)6-10(13)11(8)16-4/h5-6H,7,14H2,1-4H3
InChIKeyKQLFDRYVZDJBPP-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.75
Rot. Bonds4

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

1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117465340) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
PubChem CID117465340
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(Br)c(OC)c(CC(C)(C)N)c1
InChIInChI=1S/C12H18BrNO2/c1-12(2,14)7-8-5-9(15-3)6-10(13)11(8)16-4/h5-6H,7,14H2,1-4H3
InChIKeyKQLFDRYVZDJBPP-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
3-(3-bromo-2,5-dimethoxyphenyl)propanal
CID 117434967
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117413884
1-bromo-3-(isocyanatomethyl)-2,5-dimethoxybenzene
CID 117432561

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine (CID 117465340) is 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine is COc1cc(Br)c(OC)c(CC(C)(C)N)c1.
What is the InChIKey of 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is KQLFDRYVZDJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-12(2,14)7-8-5-9(15-3)6-10(13)11(8)16-4/h5-6H,7,14H2,1-4H3.
What are the key properties of 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine?
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117465340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).