2-[1-(2-cyclohexylethylamino)ethyl]phenol

C16H25NO — CID 54931684

IUPAC2-[1-(2-cyclohexylethylamino)ethyl]phenol
SMILESCC(NCCC1CCCCC1)c1ccccc1O
InChIInChI=1S/C16H25NO/c1-13(15-9-5-6-10-16(15)18)17-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3
InChIKeyQWKQTIPMYWCGNM-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds5

About 2-[1-(2-cyclohexylethylamino)ethyl]phenol

2-[1-(2-cyclohexylethylamino)ethyl]phenol (PubChem CID 54931684) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-cyclohexylethylamino)ethyl]phenol
PubChem CID54931684
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(2-cyclohexylethylamino)ethyl]phenol
SMILESCC(NCCC1CCCCC1)c1ccccc1O
InChIInChI=1S/C16H25NO/c1-13(15-9-5-6-10-16(15)18)17-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3
InChIKeyQWKQTIPMYWCGNM-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2-cyclohexylethylamino)ethyl]phenol 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

(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylethylamino)ethyl]phenol?
The IUPAC name of 2-[1-(2-cyclohexylethylamino)ethyl]phenol (CID 54931684) is 2-[1-(2-cyclohexylethylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-cyclohexylethylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(2-cyclohexylethylamino)ethyl]phenol is CC(NCCC1CCCCC1)c1ccccc1O.
What is the InChIKey of 2-[1-(2-cyclohexylethylamino)ethyl]phenol?
The InChIKey is QWKQTIPMYWCGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(15-9-5-6-10-16(15)18)17-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-[1-(2-cyclohexylethylamino)ethyl]phenol?
2-[1-(2-cyclohexylethylamino)ethyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylethylamino)ethyl]phenol is sourced from PubChem (CID 54931684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).