2-[(2-methylphenyl)methyl-propylamino]butan-1-ol

C15H25NO — CID 50968836

IUPAC2-[(2-methylphenyl)methyl-propylamino]butan-1-ol
SMILESCCCN(Cc1ccccc1C)C(CC)CO
InChIInChI=1S/C15H25NO/c1-4-10-16(15(5-2)12-17)11-14-9-7-6-8-13(14)3/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyLUXRWZFEAANISU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.98
Rot. Bonds7

About 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol

2-[(2-methylphenyl)methyl-propylamino]butan-1-ol (PubChem CID 50968836) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-propylamino]butan-1-ol
PubChem CID50968836
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(2-methylphenyl)methyl-propylamino]butan-1-ol
SMILESCCCN(Cc1ccccc1C)C(CC)CO
InChIInChI=1S/C15H25NO/c1-4-10-16(15(5-2)12-17)11-14-9-7-6-8-13(14)3/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyLUXRWZFEAANISU-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol 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-[(2-methylphenyl)methyl-propylamino]butan-1-ol?
The IUPAC name of 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol (CID 50968836) is 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol?
The canonical SMILES for 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol is CCCN(Cc1ccccc1C)C(CC)CO.
What is the InChIKey of 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol?
The InChIKey is LUXRWZFEAANISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-10-16(15(5-2)12-17)11-14-9-7-6-8-13(14)3/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol?
2-[(2-methylphenyl)methyl-propylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-propylamino]butan-1-ol is sourced from PubChem (CID 50968836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).