[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol

C16H25NO2 — CID 103729783

IUPAC[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
SMILESCOc1cccc(C(C)NC2CCCCC2CO)c1
InChIInChI=1S/C16H25NO2/c1-12(13-7-5-8-15(10-13)19-2)17-16-9-4-3-6-14(16)11-18/h5,7-8,10,12,14,16-18H,3-4,6,9,11H2,1-2H3
InChIKeyLIWMNJZVUWJPCA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds5

About [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol

[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol (PubChem CID 103729783) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
PubChem CID103729783
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
SMILESCOc1cccc(C(C)NC2CCCCC2CO)c1
InChIInChI=1S/C16H25NO2/c1-12(13-7-5-8-15(10-13)19-2)17-16-9-4-3-6-14(16)11-18/h5,7-8,10,12,14,16-18H,3-4,6,9,11H2,1-2H3
InChIKeyLIWMNJZVUWJPCA-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]cyclopentyl]methanol
CID 103786076
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
CID 43709481
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81375875
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol (CID 103729783) is [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol is COc1cccc(C(C)NC2CCCCC2CO)c1.
What is the InChIKey of [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol?
The InChIKey is LIWMNJZVUWJPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(13-7-5-8-15(10-13)19-2)17-16-9-4-3-6-14(16)11-18/h5,7-8,10,12,14,16-18H,3-4,6,9,11H2,1-2H3.
What are the key properties of [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol?
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103729783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).