3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

C16H26N2O — CID 115210219

IUPAC3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCCc1cc(N(C)CCC2CCCN2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-13-12-15(7-8-16(13)19-3)18(2)11-9-14-6-5-10-17-14/h7-8,12,14,17H,4-6,9-11H2,1-3H3
InChIKeyMIVOHEGJYOQIRB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds6

About 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210219) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210219
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCCc1cc(N(C)CCC2CCCN2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-13-12-15(7-8-16(13)19-3)18(2)11-9-14-6-5-10-17-14/h7-8,12,14,17H,4-6,9-11H2,1-3H3
InChIKeyMIVOHEGJYOQIRB-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
3-bromo-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210208
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210222
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209878
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
CID 112518591
3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 79737443
N-methyl-N-(2-pyrrolidin-2-ylethyl)-1H-pyrrol-3-amine
CID 115210229
3-(3-ethyl-4-methoxy-N-methylanilino)propanenitrile
CID 115230759

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210219) is 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is CCc1cc(N(C)CCC2CCCN2)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is MIVOHEGJYOQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-12-15(7-8-16(13)19-3)18(2)11-9-14-6-5-10-17-14/h7-8,12,14,17H,4-6,9-11H2,1-3H3.
What are the key properties of 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).