1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine

C11H14BrNO — CID 84805227

IUPAC1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)ccc(C)c1C1(N)CC1
InChIInChI=1S/C11H14BrNO/c1-7-3-4-8(12)10(14-2)9(7)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3
InChIKeyUOBIPEHMCUOBCU-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.71
Rot. Bonds2

About 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine

1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine (PubChem CID 84805227) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
PubChem CID84805227
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)ccc(C)c1C1(N)CC1
InChIInChI=1S/C11H14BrNO/c1-7-3-4-8(12)10(14-2)9(7)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3
InChIKeyUOBIPEHMCUOBCU-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84800343
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
CID 82622115
3-bromo-2-methoxy-6-methylaniline
CID 84723819
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
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-methoxy-6-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine (CID 84805227) is 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine is COc1c(Br)ccc(C)c1C1(N)CC1.
What is the InChIKey of 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine?
The InChIKey is UOBIPEHMCUOBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-3-4-8(12)10(14-2)9(7)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine?
1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine has a molecular weight of 256.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84805227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).