1-(3,4-dimethylphenyl)cyclopropan-1-amine

C11H15N — CID 62901491

IUPAC1-(3,4-dimethylphenyl)cyclopropan-1-amine
SMILESCc1ccc(C2(N)CC2)cc1C
InChIInChI=1S/C11H15N/c1-8-3-4-10(7-9(8)2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyMAWQTVZAFOZEOS-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.25
Rot. Bonds1

About 1-(3,4-dimethylphenyl)cyclopropan-1-amine

1-(3,4-dimethylphenyl)cyclopropan-1-amine (PubChem CID 62901491) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)cyclopropan-1-amine
PubChem CID62901491
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-(3,4-dimethylphenyl)cyclopropan-1-amine
SMILESCc1ccc(C2(N)CC2)cc1C
InChIInChI=1S/C11H15N/c1-8-3-4-10(7-9(8)2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyMAWQTVZAFOZEOS-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)cyclopropan-1-amine (CID 62901491) is 1-(3,4-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)cyclopropan-1-amine is Cc1ccc(C2(N)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is MAWQTVZAFOZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-3-4-10(7-9(8)2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)cyclopropan-1-amine?
1-(3,4-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 62901491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).