2-(4-amino-5-methylhexyl)-4-methylphenol

C14H23NO — CID 83922823

IUPAC2-(4-amino-5-methylhexyl)-4-methylphenol
SMILESCc1ccc(O)c(CCCC(N)C(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)13(15)6-4-5-12-9-11(3)7-8-14(12)16/h7-10,13,16H,4-6,15H2,1-3H3
InChIKeyNQINLYHVPIVOJT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-amino-5-methylhexyl)-4-methylphenol

2-(4-amino-5-methylhexyl)-4-methylphenol (PubChem CID 83922823) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-amino-5-methylhexyl)-4-methylphenol.

Molecular Properties

Compound Name2-(4-amino-5-methylhexyl)-4-methylphenol
PubChem CID83922823
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-amino-5-methylhexyl)-4-methylphenol
SMILESCc1ccc(O)c(CCCC(N)C(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)13(15)6-4-5-12-9-11(3)7-8-14(12)16/h7-10,13,16H,4-6,15H2,1-3H3
InChIKeyNQINLYHVPIVOJT-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-amino-5-methylhexyl)-4-methylphenol 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-amino-5-methylhexyl)-4-methylphenol?
The IUPAC name of 2-(4-amino-5-methylhexyl)-4-methylphenol (CID 83922823) is 2-(4-amino-5-methylhexyl)-4-methylphenol.
What is the SMILES notation for 2-(4-amino-5-methylhexyl)-4-methylphenol?
The canonical SMILES for 2-(4-amino-5-methylhexyl)-4-methylphenol is Cc1ccc(O)c(CCCC(N)C(C)C)c1.
What is the InChIKey of 2-(4-amino-5-methylhexyl)-4-methylphenol?
The InChIKey is NQINLYHVPIVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)13(15)6-4-5-12-9-11(3)7-8-14(12)16/h7-10,13,16H,4-6,15H2,1-3H3.
What are the key properties of 2-(4-amino-5-methylhexyl)-4-methylphenol?
2-(4-amino-5-methylhexyl)-4-methylphenol has a molecular weight of 221.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methylhexyl)-4-methylphenol is sourced from PubChem (CID 83922823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).