1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol

C18H29NO3 — CID 111121649

IUPAC1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(C)c(C(C)NCC2(O)CCCCC2)cc1OC
InChIInChI=1S/C18H29NO3/c1-13-10-16(21-3)17(22-4)11-15(13)14(2)19-12-18(20)8-6-5-7-9-18/h10-11,14,19-20H,5-9,12H2,1-4H3
InChIKeyLMSFPBSMBVFDSV-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.36
Rot. Bonds6

About 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 111121649) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID111121649
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(C)c(C(C)NCC2(O)CCCCC2)cc1OC
InChIInChI=1S/C18H29NO3/c1-13-10-16(21-3)17(22-4)11-15(13)14(2)19-12-18(20)8-6-5-7-9-18/h10-11,14,19-20H,5-9,12H2,1-4H3
InChIKeyLMSFPBSMBVFDSV-UHFFFAOYSA-N
XLogP3.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
CID 15623
(R)-Coclaurine
CID 440989
Salsolidine
CID 164752
Dehydroemetine
CID 21022
2H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-
CID 9345
6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 151186
Coclaurine
CID 160487
Csh 068
CID 259676
Emetine, dehydro-
CID 17558
4-((6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl)Phenol
CID 98348
6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 10302
7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 46695

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 111121649) is 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol is COc1cc(C)c(C(C)NCC2(O)CCCCC2)cc1OC.
What is the InChIKey of 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is LMSFPBSMBVFDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13-10-16(21-3)17(22-4)11-15(13)14(2)19-12-18(20)8-6-5-7-9-18/h10-11,14,19-20H,5-9,12H2,1-4H3.
What are the key properties of 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111121649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).