3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride

C15H24ClNO2 — CID 68626895

IUPAC3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride
SMILESCc1ccc(OC(C)NC2CCCC(O)C2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-11-6-8-15(9-7-11)18-12(2)16-13-4-3-5-14(17)10-13;/h6-9,12-14,16-17H,3-5,10H2,1-2H3;1H
InChIKeyKAYQTMOPEKUIEQ-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.03
Rot. Bonds4

About 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride

3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride (PubChem CID 68626895) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride
PubChem CID68626895
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride
SMILESCc1ccc(OC(C)NC2CCCC(O)C2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-11-6-8-15(9-7-11)18-12(2)16-13-4-3-5-14(17)10-13;/h6-9,12-14,16-17H,3-5,10H2,1-2H3;1H
InChIKeyKAYQTMOPEKUIEQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
3-(propan-2-ylamino)cycloheptan-1-ol
CID 160609920
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
3-(methylamino)cyclohexan-1-ol;hydrochloride
CID 138108510
2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
CID 61166947
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride (CID 68626895) is 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride is Cc1ccc(OC(C)NC2CCCC(O)C2)cc1.Cl.
What is the InChIKey of 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride?
The InChIKey is KAYQTMOPEKUIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-11-6-8-15(9-7-11)18-12(2)16-13-4-3-5-14(17)10-13;/h6-9,12-14,16-17H,3-5,10H2,1-2H3;1H.
What are the key properties of 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride?
3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 68626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).