2-(4-butan-2-ylphenyl)cyclopropan-1-amine

C13H19N — CID 82125529

IUPAC2-(4-butan-2-ylphenyl)cyclopropan-1-amine
SMILESCCC(C)c1ccc(C2CC2N)cc1
InChIInChI=1S/C13H19N/c1-3-9(2)10-4-6-11(7-5-10)12-8-13(12)14/h4-7,9,12-13H,3,8,14H2,1-2H3
InChIKeyBFDXILMBHXWNNP-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-butan-2-ylphenyl)cyclopropan-1-amine

2-(4-butan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 82125529) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)cyclopropan-1-amine
PubChem CID82125529
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-butan-2-ylphenyl)cyclopropan-1-amine
SMILESCCC(C)c1ccc(C2CC2N)cc1
InChIInChI=1S/C13H19N/c1-3-9(2)10-4-6-11(7-5-10)12-8-13(12)14/h4-7,9,12-13H,3,8,14H2,1-2H3
InChIKeyBFDXILMBHXWNNP-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-butan-2-ylphenyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-butan-2-ylphenyl)cyclopropan-1-amine (CID 82125529) is 2-(4-butan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylphenyl)cyclopropan-1-amine is CCC(C)c1ccc(C2CC2N)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is BFDXILMBHXWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-9(2)10-4-6-11(7-5-10)12-8-13(12)14/h4-7,9,12-13H,3,8,14H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenyl)cyclopropan-1-amine?
2-(4-butan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 82125529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).