2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol

C15H23NO2 — CID 113383805

IUPAC2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
SMILESCC(NC1CCCCC1CO)c1ccccc1O
InChIInChI=1S/C15H23NO2/c1-11(13-7-3-5-9-15(13)18)16-14-8-4-2-6-12(14)10-17/h3,5,7,9,11-12,14,16-18H,2,4,6,8,10H2,1H3
InChIKeyKNVBCHOZRSZFLE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol

2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol (PubChem CID 113383805) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
PubChem CID113383805
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
SMILESCC(NC1CCCCC1CO)c1ccccc1O
InChIInChI=1S/C15H23NO2/c1-11(13-7-3-5-9-15(13)18)16-14-8-4-2-6-12(14)10-17/h3,5,7,9,11-12,14,16-18H,2,4,6,8,10H2,1H3
InChIKeyKNVBCHOZRSZFLE-UHFFFAOYSA-N
XLogP2.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103924816
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005
[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103784951
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
CID 103786074
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol?
The IUPAC name of 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol (CID 113383805) is 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol?
The canonical SMILES for 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol is CC(NC1CCCCC1CO)c1ccccc1O.
What is the InChIKey of 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol?
The InChIKey is KNVBCHOZRSZFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(13-7-3-5-9-15(13)18)16-14-8-4-2-6-12(14)10-17/h3,5,7,9,11-12,14,16-18H,2,4,6,8,10H2,1H3.
What are the key properties of 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol?
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol is sourced from PubChem (CID 113383805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).