[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine

C14H22N2O2 — CID 117022204

IUPAC[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(OC)c(N2CCC(CN)C2C)c1
InChIInChI=1S/C14H22N2O2/c1-10-11(9-15)6-7-16(10)13-8-12(17-2)4-5-14(13)18-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyZZNBNCBMVFPJAV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds4

About [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine

[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine (PubChem CID 117022204) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine
PubChem CID117022204
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(OC)c(N2CCC(CN)C2C)c1
InChIInChI=1S/C14H22N2O2/c1-10-11(9-15)6-7-16(10)13-8-12(17-2)4-5-14(13)18-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyZZNBNCBMVFPJAV-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64938786
1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane
CID 117014758
2-(2,5-dimethoxyphenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916612
[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981273
5-cyclopropyl-1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64932759
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
1-[4-(2,5-dimethoxyphenyl)morpholin-3-yl]-N-methylmethanamine
CID 117003728
N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79397981
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine (CID 117022204) is [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine is COc1ccc(OC)c(N2CCC(CN)C2C)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine?
The InChIKey is ZZNBNCBMVFPJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-11(9-15)6-7-16(10)13-8-12(17-2)4-5-14(13)18-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine?
[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117022204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).