[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine

C13H20N2O2 — CID 82621037

IUPAC[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CNCC2CN)cc1OC
InChIInChI=1S/C13H20N2O2/c1-16-12-4-3-9(5-13(12)17-2)11-8-15-7-10(11)6-14/h3-5,10-11,15H,6-8,14H2,1-2H3
InChIKeyPROKGUTWCXJPKU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.97
Rot. Bonds4

About [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine

[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 82621037) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID82621037
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CNCC2CN)cc1OC
InChIInChI=1S/C13H20N2O2/c1-16-12-4-3-9(5-13(12)17-2)11-8-15-7-10(11)6-14/h3-5,10-11,15H,6-8,14H2,1-2H3
InChIKeyPROKGUTWCXJPKU-UHFFFAOYSA-N
XLogP0.97
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine
CID 19390094
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
4-(3,4-dimethoxyphenyl)-3-propyl-3a,4,5,6,7,7a-hexahydrothieno[2,3-c]pyridine
CID 177305242
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
CID 150912606
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
CID 124705549
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine (CID 82621037) is [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine is COc1ccc(C2CNCC2CN)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is PROKGUTWCXJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-12-4-3-9(5-13(12)17-2)11-8-15-7-10(11)6-14/h3-5,10-11,15H,6-8,14H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine?
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 236.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82621037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).