4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol

C16H25NO2 — CID 106126753

IUPAC4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc(C(C)NCC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(14-4-3-5-16(10-14)19-2)17-11-13-6-8-15(18)9-7-13/h3-5,10,12-13,15,17-18H,6-9,11H2,1-2H3
InChIKeyKFKGOWBHHMEDLP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds5

About 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol

4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106126753) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106126753
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc(C(C)NCC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(14-4-3-5-16(10-14)19-2)17-11-13-6-8-15(18)9-7-13/h3-5,10,12-13,15,17-18H,6-9,11H2,1-2H3
InChIKeyKFKGOWBHHMEDLP-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

(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 106126753) is 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is COc1cccc(C(C)NCC2CCC(O)CC2)c1.
What is the InChIKey of 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is KFKGOWBHHMEDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(14-4-3-5-16(10-14)19-2)17-11-13-6-8-15(18)9-7-13/h3-5,10,12-13,15,17-18H,6-9,11H2,1-2H3.
What are the key properties of 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol 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 4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).