2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C14H22N2O — CID 106259714

IUPAC2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOc1ccccc1CCNCC1CCCN1
InChIInChI=1S/C14H22N2O/c1-17-14-7-3-2-5-12(14)8-10-15-11-13-6-4-9-16-13/h2-3,5,7,13,15-16H,4,6,8-11H2,1H3
InChIKeyUIZFGQVAXUHNSG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106259714) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106259714
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOc1ccccc1CCNCC1CCCN1
InChIInChI=1S/C14H22N2O/c1-17-14-7-3-2-5-12(14)8-10-15-11-13-6-4-9-16-13/h2-3,5,7,13,15-16H,4,6,8-11H2,1H3
InChIKeyUIZFGQVAXUHNSG-UHFFFAOYSA-N
XLogP1.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776524
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 106259721
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-3-carboxamide
CID 106261503
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106259714) is 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is COc1ccccc1CCNCC1CCCN1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is UIZFGQVAXUHNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-7-3-2-5-12(14)8-10-15-11-13-6-4-9-16-13/h2-3,5,7,13,15-16H,4,6,8-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106259714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).