[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine

C14H22N2O — CID 61102124

IUPAC[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
SMILESCN1CCCC1CCOc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O/c1-16-9-2-3-13(16)8-10-17-14-6-4-12(11-15)5-7-14/h4-7,13H,2-3,8-11,15H2,1H3
InChIKeyXARXMROZJSJJIO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.01
Rot. Bonds5

About [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine

[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine (PubChem CID 61102124) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
PubChem CID61102124
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
SMILESCN1CCCC1CCOc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O/c1-16-9-2-3-13(16)8-10-17-14-6-4-12(11-15)5-7-14/h4-7,13H,2-3,8-11,15H2,1H3
InChIKeyXARXMROZJSJJIO-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine 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

[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine (CID 61102124) is [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine is CN1CCCC1CCOc1ccc(CN)cc1.
What is the InChIKey of [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is XARXMROZJSJJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-9-2-3-13(16)8-10-17-14-6-4-12(11-15)5-7-14/h4-7,13H,2-3,8-11,15H2,1H3.
What are the key properties of [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 61102124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).