2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol

C14H21NO2 — CID 106940161

IUPAC2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
SMILESNCCc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C14H21NO2/c15-10-9-11-5-7-12(8-6-11)17-14-4-2-1-3-13(14)16/h5-8,13-14,16H,1-4,9-10,15H2
InChIKeyQVUAQJWNWHSKGT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol

2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol (PubChem CID 106940161) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
PubChem CID106940161
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
SMILESNCCc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C14H21NO2/c15-10-9-11-5-7-12(8-6-11)17-14-4-2-1-3-13(14)16/h5-8,13-14,16H,1-4,9-10,15H2
InChIKeyQVUAQJWNWHSKGT-UHFFFAOYSA-N
XLogP1.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
CID 106940170
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419
2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
CID 115494554
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79775403
2-phenoxycyclooctan-1-ol
CID 22247671
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol (CID 106940161) is 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol is NCCc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol?
The InChIKey is QVUAQJWNWHSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-10-9-11-5-7-12(8-6-11)17-14-4-2-1-3-13(14)16/h5-8,13-14,16H,1-4,9-10,15H2.
What are the key properties of 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol?
2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 106940161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).