N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

C15H24N2O — CID 115118917

IUPACN-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1cc(CN(C)C2CCNC2)ccc1OC
InChIInChI=1S/C15H24N2O/c1-4-13-9-12(5-6-15(13)18-3)11-17(2)14-7-8-16-10-14/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3
InChIKeyVXVMLGULUFMWGX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115118917) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID115118917
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1cc(CN(C)C2CCNC2)ccc1OC
InChIInChI=1S/C15H24N2O/c1-4-13-9-12(5-6-15(13)18-3)11-17(2)14-7-8-16-10-14/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3
InChIKeyVXVMLGULUFMWGX-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 115118917) is N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is CCc1cc(CN(C)C2CCNC2)ccc1OC.
What is the InChIKey of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is VXVMLGULUFMWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-9-12(5-6-15(13)18-3)11-17(2)14-7-8-16-10-14/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).