2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine

C11H16BrNO — CID 84805905

IUPAC2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine
SMILESCOc1ccc(Br)c(C)c1C(C)(C)N
InChIInChI=1S/C11H16BrNO/c1-7-8(12)5-6-9(14-4)10(7)11(2,3)13/h5-6H,13H2,1-4H3
InChIKeyWIABLRJZVANQGY-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine

2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine (PubChem CID 84805905) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine
PubChem CID84805905
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine
SMILESCOc1ccc(Br)c(C)c1C(C)(C)N
InChIInChI=1S/C11H16BrNO/c1-7-8(12)5-6-9(14-4)10(7)11(2,3)13/h5-6H,13H2,1-4H3
InChIKeyWIABLRJZVANQGY-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
CID 84810436
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
CID 84782823
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
6-bromo-3-methoxy-2-methylaniline
CID 67280395
2-(4-bromo-2,3-dimethylphenyl)propan-2-amine
CID 84801575
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine (CID 84805905) is 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine is COc1ccc(Br)c(C)c1C(C)(C)N.
What is the InChIKey of 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine?
The InChIKey is WIABLRJZVANQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-8(12)5-6-9(14-4)10(7)11(2,3)13/h5-6H,13H2,1-4H3.
What are the key properties of 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine?
2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 84805905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).