N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine

C15H24N2O — CID 115118960

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1c(C)cc(CN(C)C2CCNC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-7-13(8-12(2)15(11)18-4)10-17(3)14-5-6-16-9-14/h7-8,14,16H,5-6,9-10H2,1-4H3
InChIKeyYCQCVGSVFWMLIA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115118960) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID115118960
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1c(C)cc(CN(C)C2CCNC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-7-13(8-12(2)15(11)18-4)10-17(3)14-5-6-16-9-14/h7-8,14,16H,5-6,9-10H2,1-4H3
InChIKeyYCQCVGSVFWMLIA-UHFFFAOYSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119766902
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040697
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 115118960) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine is COc1c(C)cc(CN(C)C2CCNC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is YCQCVGSVFWMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-13(8-12(2)15(11)18-4)10-17(3)14-5-6-16-9-14/h7-8,14,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).