1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine

C13H19N — CID 131471469

IUPAC1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(C)cc(C2(C(C)N)CC2)c1
InChIInChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(4-5-13)11(3)14/h6-8,11H,4-5,14H2,1-3H3
InChIKeyPQJINNUSWNGECC-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.68
Rot. Bonds2

About 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine

1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine (PubChem CID 131471469) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
PubChem CID131471469
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(C)cc(C2(C(C)N)CC2)c1
InChIInChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(4-5-13)11(3)14/h6-8,11H,4-5,14H2,1-3H3
InChIKeyPQJINNUSWNGECC-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine (CID 131471469) is 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine is Cc1cc(C)cc(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine?
The InChIKey is PQJINNUSWNGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(4-5-13)11(3)14/h6-8,11H,4-5,14H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine?
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 131471469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).