1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine

C18H30N2O — CID 107913197

IUPAC1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ccc(OCCC2CCCCN2C)c(CC(C)N)c1
InChIInChI=1S/C18H30N2O/c1-14-7-8-18(16(12-14)13-15(2)19)21-11-9-17-6-4-5-10-20(17)3/h7-8,12,15,17H,4-6,9-11,13,19H2,1-3H3
InChIKeyWCQQTTJCSYMYOH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.14
Rot. Bonds6

About 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine

1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 107913197) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
PubChem CID107913197
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ccc(OCCC2CCCCN2C)c(CC(C)N)c1
InChIInChI=1S/C18H30N2O/c1-14-7-8-18(16(12-14)13-15(2)19)21-11-9-17-6-4-5-10-20(17)3/h7-8,12,15,17H,4-6,9-11,13,19H2,1-3H3
InChIKeyWCQQTTJCSYMYOH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
1-(5-methyl-2-prop-2-ynoxyphenyl)propan-2-amine
CID 63326075
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine (CID 107913197) is 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine is Cc1ccc(OCCC2CCCCN2C)c(CC(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is WCQQTTJCSYMYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-7-8-18(16(12-14)13-15(2)19)21-11-9-17-6-4-5-10-20(17)3/h7-8,12,15,17H,4-6,9-11,13,19H2,1-3H3.
What are the key properties of 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine?
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107913197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).