4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine

C20H29NO2 — CID 86634680

IUPAC4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCCOC1(C#CCOC)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C20H29NO2/c1-5-23-19(12-9-17-22-4)13-15-20(16-14-19,21(2)3)18-10-7-6-8-11-18/h6-8,10-11H,5,13-17H2,1-4H3
InChIKeyZZWVQDBIUWZEEL-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.44
Rot. Bonds5

About 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 86634680) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID86634680
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCCOC1(C#CCOC)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C20H29NO2/c1-5-23-19(12-9-17-22-4)13-15-20(16-14-19,21(2)3)18-10-7-6-8-11-18/h6-8,10-11H,5,13-17H2,1-4H3
InChIKeyZZWVQDBIUWZEEL-UHFFFAOYSA-N
XLogP3.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
CID 153435964
methyl 2-[4-(dimethylamino)-4-phenylcyclohexyl]acetate;hydrochloride
CID 67386483
4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 68633204
ethyl 3-[4-(dimethylamino)-1-(3-ethoxy-3-oxopropyl)-4-phenylcyclohexyl]propanoate;sulfuric acid
CID 158207775
1-ethoxy-4-phenylbicyclo[2.2.2]octane
CID 71328656
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662277
2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide
CID 166430545
8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200736
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene
CID 102019429

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 86634680) is 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine is CCOC1(C#CCOC)CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is ZZWVQDBIUWZEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-5-23-19(12-9-17-22-4)13-15-20(16-14-19,21(2)3)18-10-7-6-8-11-18/h6-8,10-11H,5,13-17H2,1-4H3.
What are the key properties of 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 315.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 86634680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).