N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine

C18H30N2O — CID 107392171

IUPACN-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCCC(C)(OC)C1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-5-19-17(16-10-7-6-9-15(16)2)13-20-12-8-11-18(3,14-20)21-4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyMVOFOLACEQSFGF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine

N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 107392171) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID107392171
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCCC(C)(OC)C1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-5-19-17(16-10-7-6-9-15(16)2)13-20-12-8-11-18(3,14-20)21-4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyMVOFOLACEQSFGF-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751
1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine
CID 107395154
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 107393064
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490466
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64576858
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine (CID 107392171) is N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine is CCNC(CN1CCCC(C)(OC)C1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is MVOFOLACEQSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-19-17(16-10-7-6-9-15(16)2)13-20-12-8-11-18(3,14-20)21-4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 107392171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).