1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine

C15H24N2O2 — CID 115299885

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C15H24N2O2/c1-11(17-8-7-13(10-17)16-2)12-5-6-14(18-3)15(9-12)19-4/h5-6,9,11,13,16H,7-8,10H2,1-4H3
InChIKeyCTCWDWRTXCJSSE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds5

About 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine

1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 115299885) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID115299885
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C15H24N2O2/c1-11(17-8-7-13(10-17)16-2)12-5-6-14(18-3)15(9-12)19-4/h5-6,9,11,13,16H,7-8,10H2,1-4H3
InChIKeyCTCWDWRTXCJSSE-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
N-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidin-3-amine
CID 115299929
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 100844619

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine (CID 115299885) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine is CNC1CCN(C(C)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is CTCWDWRTXCJSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(17-8-7-13(10-17)16-2)12-5-6-14(18-3)15(9-12)19-4/h5-6,9,11,13,16H,7-8,10H2,1-4H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine?
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115299885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).