4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol

C16H23NO2 — CID 43220623

IUPAC4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
SMILESC=CCOc1ccccc1CNC1CCC(O)CC1
InChIInChI=1S/C16H23NO2/c1-2-11-19-16-6-4-3-5-13(16)12-17-14-7-9-15(18)10-8-14/h2-6,14-15,17-18H,1,7-12H2
InChIKeyAJDROKFKCYUFSK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.64
Rot. Bonds6

About 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol

4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 43220623) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID43220623
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
SMILESC=CCOc1ccccc1CNC1CCC(O)CC1
InChIInChI=1S/C16H23NO2/c1-2-11-19-16-6-4-3-5-13(16)12-17-14-7-9-15(18)10-8-14/h2-6,14-15,17-18H,1,7-12H2
InChIKeyAJDROKFKCYUFSK-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111979504
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
CID 43784273
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62523408
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol (CID 43220623) is 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol is C=CCOc1ccccc1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is AJDROKFKCYUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-11-19-16-6-4-3-5-13(16)12-17-14-7-9-15(18)10-8-14/h2-6,14-15,17-18H,1,7-12H2.
What are the key properties of 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol?
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43220623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).