1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine

C16H26N2O — CID 116951467

IUPAC1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCCc1cc(C(CC2CCCN2)NC)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-12-10-13(7-8-16(12)19-3)15(17-2)11-14-6-5-9-18-14/h7-8,10,14-15,17-18H,4-6,9,11H2,1-3H3
InChIKeyRYHVWOUMEUPJRD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds6

About 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine

1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine (PubChem CID 116951467) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
PubChem CID116951467
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCCc1cc(C(CC2CCCN2)NC)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-12-10-13(7-8-16(12)19-3)15(17-2)11-14-6-5-9-18-14/h7-8,10,14-15,17-18H,4-6,9,11H2,1-3H3
InChIKeyRYHVWOUMEUPJRD-UHFFFAOYSA-N
XLogP2.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116951487
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949448
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine (CID 116951467) is 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine is CCc1cc(C(CC2CCCN2)NC)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
The InChIKey is RYHVWOUMEUPJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12-10-13(7-8-16(12)19-3)15(17-2)11-14-6-5-9-18-14/h7-8,10,14-15,17-18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine?
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116951467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).