1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

C13H20N2O — CID 61029194

IUPAC1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C13H20N2O/c1-14-12-6-7-15(10-12)9-11-4-3-5-13(8-11)16-2/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeyJHDBZHFQEBFDPA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 61029194) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID61029194
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C13H20N2O/c1-14-12-6-7-15(10-12)9-11-4-3-5-13(8-11)16-2/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeyJHDBZHFQEBFDPA-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707470
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
CID 166244914
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 61029194) is 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is JHDBZHFQEBFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-12-6-7-15(10-12)9-11-4-3-5-13(8-11)16-2/h3-5,8,12,14H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 61029194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).