[1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine

C14H22N2O — CID 166137239

IUPAC[1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine
SMILESCN1CCCC1(CN)COCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-16-9-5-8-14(16,11-15)12-17-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,15H2,1H3
InChIKeyZUODXHSZPAWOIC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds5

About [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine

[1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine (PubChem CID 166137239) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine
PubChem CID166137239
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine
SMILESCN1CCCC1(CN)COCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-16-9-5-8-14(16,11-15)12-17-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,15H2,1H3
InChIKeyZUODXHSZPAWOIC-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

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[1-(phenylmethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
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CID 83671115
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
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CID 102940486
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
ethane;phenylmethoxymethylbenzene
CID 90943549
(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
CID 155775308

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine (CID 166137239) is [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine is CN1CCCC1(CN)COCc1ccccc1.
What is the InChIKey of [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is ZUODXHSZPAWOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-9-5-8-14(16,11-15)12-17-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,15H2,1H3.
What are the key properties of [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine?
[1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine 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 [1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 166137239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).