5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol

C13H19NO2 — CID 117316467

IUPAC5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol
SMILESNC1(c2ccc(CO)c(O)c2)CCCCC1
InChIInChI=1S/C13H19NO2/c14-13(6-2-1-3-7-13)11-5-4-10(9-15)12(16)8-11/h4-5,8,15-16H,1-3,6-7,9,14H2
InChIKeyKSUMNCZNLXZNEK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.00
Rot. Bonds2

About 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol

5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol (PubChem CID 117316467) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol
PubChem CID117316467
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol
SMILESNC1(c2ccc(CO)c(O)c2)CCCCC1
InChIInChI=1S/C13H19NO2/c14-13(6-2-1-3-7-13)11-5-4-10(9-15)12(16)8-11/h4-5,8,15-16H,1-3,6-7,9,14H2
InChIKeyKSUMNCZNLXZNEK-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(1-aminocyclopropyl)-2-fluorophenyl]methanol
CID 117278716
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-(3,4-diethylphenyl)cyclobutan-1-amine
CID 117292089
4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol
CID 117347337
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(8-fluoronaphthalen-2-yl)cyclopentan-1-amine
CID 105486922
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol?
The IUPAC name of 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol (CID 117316467) is 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol.
What is the SMILES notation for 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol?
The canonical SMILES for 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol is NC1(c2ccc(CO)c(O)c2)CCCCC1.
What is the InChIKey of 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol?
The InChIKey is KSUMNCZNLXZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-13(6-2-1-3-7-13)11-5-4-10(9-15)12(16)8-11/h4-5,8,15-16H,1-3,6-7,9,14H2.
What are the key properties of 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol?
5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol is sourced from PubChem (CID 117316467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).