2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine

C12H18BrNO2 — CID 117465358

IUPAC2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(OC)c(Br)c1C
InChIInChI=1S/C12H18BrNO2/c1-7-9(15-4)6-8(12(2,3)14)11(16-5)10(7)13/h6H,14H2,1-5H3
InChIKeyDKASNIUOGRESEV-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.97
Rot. Bonds3

About 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine

2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine (PubChem CID 117465358) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
PubChem CID117465358
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(OC)c(Br)c1C
InChIInChI=1S/C12H18BrNO2/c1-7-9(15-4)6-8(12(2,3)14)11(16-5)10(7)13/h6H,14H2,1-5H3
InChIKeyDKASNIUOGRESEV-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
CID 117304795
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461457
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]propan-2-amine
CID 117359983
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine (CID 117465358) is 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine is COc1cc(C(C)(C)N)c(OC)c(Br)c1C.
What is the InChIKey of 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine?
The InChIKey is DKASNIUOGRESEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-7-9(15-4)6-8(12(2,3)14)11(16-5)10(7)13/h6H,14H2,1-5H3.
What are the key properties of 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine?
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 117465358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).