1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine

C11H14BrN — CID 84800343

IUPAC1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1ccc(Br)c(C)c1C1(N)CC1
InChIInChI=1S/C11H14BrN/c1-7-3-4-9(12)8(2)10(7)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3
InChIKeyVVNXWTQGWZBACQ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.01
Rot. Bonds1

About 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine

1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84800343) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID84800343
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1ccc(Br)c(C)c1C1(N)CC1
InChIInChI=1S/C11H14BrN/c1-7-3-4-9(12)8(2)10(7)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3
InChIKeyVVNXWTQGWZBACQ-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
CID 84805227
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
CID 84801516
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
CID 84772869
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine (CID 84800343) is 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine is Cc1ccc(Br)c(C)c1C1(N)CC1.
What is the InChIKey of 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is VVNXWTQGWZBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-7-3-4-9(12)8(2)10(7)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine?
1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84800343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).