2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine

C18H30N2O — CID 107913173

IUPAC2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCCC1CCCCN1C
InChIInChI=1S/C18H30N2O/c1-14-12-16(7-9-19)13-15(2)18(14)21-11-8-17-6-4-5-10-20(17)3/h12-13,17H,4-11,19H2,1-3H3
InChIKeyYSCGSPTXUCYCKJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.06
Rot. Bonds6

About 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine

2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 107913173) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
PubChem CID107913173
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCCC1CCCCN1C
InChIInChI=1S/C18H30N2O/c1-14-12-16(7-9-19)13-15(2)18(14)21-11-8-17-6-4-5-10-20(17)3/h12-13,17H,4-11,19H2,1-3H3
InChIKeyYSCGSPTXUCYCKJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 107912359
2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
CID 107913194
2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910970
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
3-bromo-5-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910959
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine (CID 107913173) is 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine is Cc1cc(CCN)cc(C)c1OCCC1CCCCN1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is YSCGSPTXUCYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-12-16(7-9-19)13-15(2)18(14)21-11-8-17-6-4-5-10-20(17)3/h12-13,17H,4-11,19H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 107913173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).