3-(3-amino-2-cyclohexylpropoxy)phenol

C15H23NO2 — CID 117245987

IUPAC3-(3-amino-2-cyclohexylpropoxy)phenol
SMILESNCC(COc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H23NO2/c16-10-13(12-5-2-1-3-6-12)11-18-15-8-4-7-14(17)9-15/h4,7-9,12-13,17H,1-3,5-6,10-11,16H2
InChIKeyKUZZPBOVXSIGFH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds5

About 3-(3-amino-2-cyclohexylpropoxy)phenol

3-(3-amino-2-cyclohexylpropoxy)phenol (PubChem CID 117245987) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3-amino-2-cyclohexylpropoxy)phenol.

Molecular Properties

Compound Name3-(3-amino-2-cyclohexylpropoxy)phenol
PubChem CID117245987
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(3-amino-2-cyclohexylpropoxy)phenol
SMILESNCC(COc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H23NO2/c16-10-13(12-5-2-1-3-6-12)11-18-15-8-4-7-14(17)9-15/h4,7-9,12-13,17H,1-3,5-6,10-11,16H2
InChIKeyKUZZPBOVXSIGFH-UHFFFAOYSA-N
XLogP2.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292
3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol
CID 117237357
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
4-[3-amino-2-(1,1-dioxothian-4-yl)propoxy]phenol
CID 117239371

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-cyclohexylpropoxy)phenol?
The IUPAC name of 3-(3-amino-2-cyclohexylpropoxy)phenol (CID 117245987) is 3-(3-amino-2-cyclohexylpropoxy)phenol.
What is the SMILES notation for 3-(3-amino-2-cyclohexylpropoxy)phenol?
The canonical SMILES for 3-(3-amino-2-cyclohexylpropoxy)phenol is NCC(COc1cccc(O)c1)C1CCCCC1.
What is the InChIKey of 3-(3-amino-2-cyclohexylpropoxy)phenol?
The InChIKey is KUZZPBOVXSIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-10-13(12-5-2-1-3-6-12)11-18-15-8-4-7-14(17)9-15/h4,7-9,12-13,17H,1-3,5-6,10-11,16H2.
What are the key properties of 3-(3-amino-2-cyclohexylpropoxy)phenol?
3-(3-amino-2-cyclohexylpropoxy)phenol has a molecular weight of 249.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-cyclohexylpropoxy)phenol is sourced from PubChem (CID 117245987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).