2-[4-(pentan-2-ylamino)phenyl]ethanol

C13H21NO — CID 61237126

IUPAC2-[4-(pentan-2-ylamino)phenyl]ethanol
SMILESCCCC(C)Nc1ccc(CCO)cc1
InChIInChI=1S/C13H21NO/c1-3-4-11(2)14-13-7-5-12(6-8-13)9-10-15/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyQNGIAEDIOFOEQW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.82
Rot. Bonds6

About 2-[4-(pentan-2-ylamino)phenyl]ethanol

2-[4-(pentan-2-ylamino)phenyl]ethanol (PubChem CID 61237126) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(pentan-2-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(pentan-2-ylamino)phenyl]ethanol
PubChem CID61237126
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(pentan-2-ylamino)phenyl]ethanol
SMILESCCCC(C)Nc1ccc(CCO)cc1
InChIInChI=1S/C13H21NO/c1-3-4-11(2)14-13-7-5-12(6-8-13)9-10-15/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyQNGIAEDIOFOEQW-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(pentan-2-ylamino)phenyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(heptan-4-ylamino)phenyl]ethanol
CID 61236944
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
CID 103932218
4-fluoro-N-pentan-2-ylaniline
CID 15724808
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
N-(5,5-dimethylhexan-2-yl)-4-propylaniline
CID 114279897
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
4-(pentan-2-ylamino)benzamide
CID 43193030
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
2-[N-(2-hydroxyethyl)-4-(pentan-2-ylamino)anilino]ethanol;isocyanic acid
CID 90888417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pentan-2-ylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(pentan-2-ylamino)phenyl]ethanol (CID 61237126) is 2-[4-(pentan-2-ylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(pentan-2-ylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(pentan-2-ylamino)phenyl]ethanol is CCCC(C)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(pentan-2-ylamino)phenyl]ethanol?
The InChIKey is QNGIAEDIOFOEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-11(2)14-13-7-5-12(6-8-13)9-10-15/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[4-(pentan-2-ylamino)phenyl]ethanol?
2-[4-(pentan-2-ylamino)phenyl]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pentan-2-ylamino)phenyl]ethanol is sourced from PubChem (CID 61237126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).