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

C18H29NO2 — CID 103785946

IUPAC3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccc(C(C)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H29NO2/c1-3-11-21-18-9-7-16(8-10-18)14(2)19-13-15-5-4-6-17(20)12-15/h7-10,14-15,17,19-20H,3-6,11-13H2,1-2H3
InChIKeyIZHMZGBQBQHAOO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.68
Rot. Bonds7

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

3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103785946) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103785946
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccc(C(C)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H29NO2/c1-3-11-21-18-9-7-16(8-10-18)14(2)19-13-15-5-4-6-17(20)12-15/h7-10,14-15,17,19-20H,3-6,11-13H2,1-2H3
InChIKeyIZHMZGBQBQHAOO-UHFFFAOYSA-N
XLogP3.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
N-(cyclohexylmethyl)-1-[4-(2-ethoxyethoxy)phenyl]ethanamine
CID 54804421
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
2-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 103785946) is 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is CCCOc1ccc(C(C)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is IZHMZGBQBQHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-11-21-18-9-7-16(8-10-18)14(2)19-13-15-5-4-6-17(20)12-15/h7-10,14-15,17,19-20H,3-6,11-13H2,1-2H3.
What are the key properties of 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).