[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine

C13H20N2O — CID 103530729

IUPAC[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
SMILESCOC1CCN(c2cc(C)ccc2CN)C1
InChIInChI=1S/C13H20N2O/c1-10-3-4-11(8-14)13(7-10)15-6-5-12(9-15)16-2/h3-4,7,12H,5-6,8-9,14H2,1-2H3
InChIKeyHJQSGKSNGUFTHH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.68
Rot. Bonds3

About [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine

[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine (PubChem CID 103530729) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
PubChem CID103530729
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
SMILESCOC1CCN(c2cc(C)ccc2CN)C1
InChIInChI=1S/C13H20N2O/c1-10-3-4-11(8-14)13(7-10)15-6-5-12(9-15)16-2/h3-4,7,12H,5-6,8-9,14H2,1-2H3
InChIKeyHJQSGKSNGUFTHH-UHFFFAOYSA-N
XLogP1.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(methoxymethyl)piperidin-1-yl]-4-methylphenyl]methanamine
CID 63973998
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62308620
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
CID 81206370
1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
CID 142618603
2-[2-(aminomethyl)-5-methylphenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81095413
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103530731

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine?
The IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine (CID 103530729) is [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine is COC1CCN(c2cc(C)ccc2CN)C1.
What is the InChIKey of [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine?
The InChIKey is HJQSGKSNGUFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-3-4-11(8-14)13(7-10)15-6-5-12(9-15)16-2/h3-4,7,12H,5-6,8-9,14H2,1-2H3.
What are the key properties of [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine?
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine is sourced from PubChem (CID 103530729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).