2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine

C14H22N2O — CID 115040359

IUPAC2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine
SMILESCN1CCC(CCN)(OCc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-16-10-8-14(12-16,7-9-15)17-11-13-5-3-2-4-6-13/h2-6H,7-12,15H2,1H3
InChIKeyOAVBFUGIUHEJJV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds5

About 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine

2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine (PubChem CID 115040359) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine
PubChem CID115040359
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine
SMILESCN1CCC(CCN)(OCc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-16-10-8-14(12-16,7-9-15)17-11-13-5-3-2-4-6-13/h2-6H,7-12,15H2,1H3
InChIKeyOAVBFUGIUHEJJV-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
2-(4-ethoxy-1-methylpiperidin-4-yl)ethanamine
CID 105442316
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
benzyl 1,4-dimethylpiperidine-4-carboxylate
CID 21050575
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
(3-phenylmethoxyoxolan-3-yl)methanamine
CID 115025185
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine (CID 115040359) is 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine is CN1CCC(CCN)(OCc2ccccc2)C1.
What is the InChIKey of 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine?
The InChIKey is OAVBFUGIUHEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-10-8-14(12-16,7-9-15)17-11-13-5-3-2-4-6-13/h2-6H,7-12,15H2,1H3.
What are the key properties of 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine?
2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 115040359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).