1-(3,5-dimethoxyphenyl)cyclopropan-1-amine

C11H15NO2 — CID 55264654

IUPAC1-(3,5-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(OC)cc(C2(N)CC2)c1
InChIInChI=1S/C11H15NO2/c1-13-9-5-8(11(12)3-4-11)6-10(7-9)14-2/h5-7H,3-4,12H2,1-2H3
InChIKeyJKLSQESFRNWDBC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.65
Rot. Bonds3

About 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine

1-(3,5-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 55264654) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID55264654
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(3,5-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(OC)cc(C2(N)CC2)c1
InChIInChI=1S/C11H15NO2/c1-13-9-5-8(11(12)3-4-11)6-10(7-9)14-2/h5-7H,3-4,12H2,1-2H3
InChIKeyJKLSQESFRNWDBC-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine (CID 55264654) is 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine is COc1cc(OC)cc(C2(N)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is JKLSQESFRNWDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-9-5-8(11(12)3-4-11)6-10(7-9)14-2/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine?
1-(3,5-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 55264654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).