2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine

C12H18BrNO — CID 117433026

IUPAC2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
SMILESCOc1c(C)cc(Br)c(C(C)CN)c1C
InChIInChI=1S/C12H18BrNO/c1-7-5-10(13)11(8(2)6-14)9(3)12(7)15-4/h5,8H,6,14H2,1-4H3
InChIKeyJHQGLJHWLBKXLT-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.14
Rot. Bonds3

About 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine

2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine (PubChem CID 117433026) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
PubChem CID117433026
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
SMILESCOc1c(C)cc(Br)c(C(C)CN)c1C
InChIInChI=1S/C12H18BrNO/c1-7-5-10(13)11(8(2)6-14)9(3)12(7)15-4/h5,8H,6,14H2,1-4H3
InChIKeyJHQGLJHWLBKXLT-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117463086
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine
CID 113370313
2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
CID 83940446
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117486400
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine (CID 117433026) is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine is COc1c(C)cc(Br)c(C(C)CN)c1C.
What is the InChIKey of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine?
The InChIKey is JHQGLJHWLBKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-7-5-10(13)11(8(2)6-14)9(3)12(7)15-4/h5,8H,6,14H2,1-4H3.
What are the key properties of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine?
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 117433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).