3-(2-aminopropyl)-5-propan-2-ylphenol

C12H19NO — CID 117284114

IUPAC3-(2-aminopropyl)-5-propan-2-ylphenol
SMILESCC(N)Cc1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H19NO/c1-8(2)11-5-10(4-9(3)13)6-12(14)7-11/h5-9,14H,4,13H2,1-3H3
InChIKeyYCGACGPBNJNYOB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds3

About 3-(2-aminopropyl)-5-propan-2-ylphenol

3-(2-aminopropyl)-5-propan-2-ylphenol (PubChem CID 117284114) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-aminopropyl)-5-propan-2-ylphenol.

Molecular Properties

Compound Name3-(2-aminopropyl)-5-propan-2-ylphenol
PubChem CID117284114
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2-aminopropyl)-5-propan-2-ylphenol
SMILESCC(N)Cc1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H19NO/c1-8(2)11-5-10(4-9(3)13)6-12(14)7-11/h5-9,14H,4,13H2,1-3H3
InChIKeyYCGACGPBNJNYOB-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminopropyl)-5-propan-2-ylphenol 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 3-(2-aminopropyl)-5-propan-2-ylphenol?
The IUPAC name of 3-(2-aminopropyl)-5-propan-2-ylphenol (CID 117284114) is 3-(2-aminopropyl)-5-propan-2-ylphenol.
What is the SMILES notation for 3-(2-aminopropyl)-5-propan-2-ylphenol?
The canonical SMILES for 3-(2-aminopropyl)-5-propan-2-ylphenol is CC(N)Cc1cc(O)cc(C(C)C)c1.
What is the InChIKey of 3-(2-aminopropyl)-5-propan-2-ylphenol?
The InChIKey is YCGACGPBNJNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)11-5-10(4-9(3)13)6-12(14)7-11/h5-9,14H,4,13H2,1-3H3.
What are the key properties of 3-(2-aminopropyl)-5-propan-2-ylphenol?
3-(2-aminopropyl)-5-propan-2-ylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-5-propan-2-ylphenol is sourced from PubChem (CID 117284114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).