1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol

C17H25NO2 — CID 70451025

IUPAC1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol
SMILESCOc1ccc(C(CC2(O)C=CCCC2)N(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-18(2)16(13-17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h5,7-11,16,19H,4,6,12-13H2,1-3H3
InChIKeyUYXYJYMAVFRJPV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.16
Rot. Bonds5

About 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol (PubChem CID 70451025) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol
PubChem CID70451025
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol
SMILESCOc1ccc(C(CC2(O)C=CCCC2)N(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-18(2)16(13-17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h5,7-11,16,19H,4,6,12-13H2,1-3H3
InChIKeyUYXYJYMAVFRJPV-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol
CID 169451737
4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol
CID 70258580
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
2-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohex-3-ene-1,2-diol
CID 169451815
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 57165649
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116912762
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 68843793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol (CID 70451025) is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol is COc1ccc(C(CC2(O)C=CCCC2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol?
The InChIKey is UYXYJYMAVFRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(2)16(13-17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h5,7-11,16,19H,4,6,12-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol?
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol has a molecular weight of 275.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 70451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).