1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine

C15H24N2O2 — CID 63362955

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(Cc2ccc(OC)cc2OC)C1
InChIInChI=1S/C15H24N2O2/c1-4-16-13-7-8-17(11-13)10-12-5-6-14(18-2)9-15(12)19-3/h5-6,9,13,16H,4,7-8,10-11H2,1-3H3
InChIKeyVDIDPYPOGDNVTD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.89
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine

1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63362955) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
PubChem CID63362955
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(Cc2ccc(OC)cc2OC)C1
InChIInChI=1S/C15H24N2O2/c1-4-16-13-7-8-17(11-13)10-12-5-6-14(18-2)9-15(12)19-3/h5-6,9,13,16H,4,7-8,10-11H2,1-3H3
InChIKeyVDIDPYPOGDNVTD-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
N-[(2,4-dimethoxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107078
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine (CID 63362955) is 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine is CCNC1CCN(Cc2ccc(OC)cc2OC)C1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is VDIDPYPOGDNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-13-7-8-17(11-13)10-12-5-6-14(18-2)9-15(12)19-3/h5-6,9,13,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63362955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).