2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline

C16H26N2O — CID 107910970

IUPAC2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
SMILESCc1ccc(N)c(C)c1OCCC1CCCCN1C
InChIInChI=1S/C16H26N2O/c1-12-7-8-15(17)13(2)16(12)19-11-9-14-6-4-5-10-18(14)3/h7-8,14H,4-6,9-11,17H2,1-3H3
InChIKeyWBAKUSXUWCWKMN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.14
Rot. Bonds4

About 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline

2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline (PubChem CID 107910970) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
PubChem CID107910970
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
SMILESCc1ccc(N)c(C)c1OCCC1CCCCN1C
InChIInChI=1S/C16H26N2O/c1-12-7-8-15(17)13(2)16(12)19-11-9-14-6-4-5-10-18(14)3/h7-8,14H,4-6,9-11,17H2,1-3H3
InChIKeyWBAKUSXUWCWKMN-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
CID 107913173
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 107912359
3-bromo-5-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910959
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline?
The IUPAC name of 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline (CID 107910970) is 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline.
What is the SMILES notation for 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline?
The canonical SMILES for 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline is Cc1ccc(N)c(C)c1OCCC1CCCCN1C.
What is the InChIKey of 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline?
The InChIKey is WBAKUSXUWCWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-8-15(17)13(2)16(12)19-11-9-14-6-4-5-10-18(14)3/h7-8,14H,4-6,9-11,17H2,1-3H3.
What are the key properties of 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline?
2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline is sourced from PubChem (CID 107910970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).