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

C14H22N2O — CID 116951547

IUPAC1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O/c1-15-14(9-11-7-8-16-10-11)12-3-5-13(17-2)6-4-12/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyCGYYGQIXSFWQNO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.96
Rot. Bonds5

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

1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116951547) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID116951547
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O/c1-15-14(9-11-7-8-16-10-11)12-3-5-13(17-2)6-4-12/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyCGYYGQIXSFWQNO-UHFFFAOYSA-N
XLogP1.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951598
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 105095465
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine
CID 116951797
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (CID 116951547) is 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is CNC(CC1CCNC1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is CGYYGQIXSFWQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14(9-11-7-8-16-10-11)12-3-5-13(17-2)6-4-12/h3-6,11,14-16H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116951547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).