4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol

C16H25NO2 — CID 106133202

IUPAC4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CCNCC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-16-8-4-13(5-9-16)10-11-17-12-14-2-6-15(18)7-3-14/h4-5,8-9,14-15,17-18H,2-3,6-7,10-12H2,1H3
InChIKeyYAFGLWOFTSCINE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.38
Rot. Bonds6

About 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol

4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106133202) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106133202
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CCNCC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-16-8-4-13(5-9-16)10-11-17-12-14-2-6-15(18)7-3-14/h4-5,8-9,14-15,17-18H,2-3,6-7,10-12H2,1H3
InChIKeyYAFGLWOFTSCINE-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66006279
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 158233978
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213715
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 106133202) is 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is COc1ccc(CCNCC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is YAFGLWOFTSCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-16-8-4-13(5-9-16)10-11-17-12-14-2-6-15(18)7-3-14/h4-5,8-9,14-15,17-18H,2-3,6-7,10-12H2,1H3.
What are the key properties of 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).