4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline

C15H24N2O — CID 115210173

IUPAC4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCOc1c(C)cc(NCCC2CCCN2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-9-14(10-12(2)15(11)18-3)17-8-6-13-5-4-7-16-13/h9-10,13,16-17H,4-8H2,1-3H3
InChIKeyWGBQCRGUGSAKCZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds5

About 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline

4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210173) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210173
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCOc1c(C)cc(NCCC2CCCN2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-9-14(10-12(2)15(11)18-3)17-8-6-13-5-4-7-16-13/h9-10,13,16-17H,4-8H2,1-3H3
InChIKeyWGBQCRGUGSAKCZ-UHFFFAOYSA-N
XLogP2.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
5-chloro-4-methoxy-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210121
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973157
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazol-4-amine
CID 103568889
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210173) is 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline is COc1c(C)cc(NCCC2CCCN2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is WGBQCRGUGSAKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-14(10-12(2)15(11)18-3)17-8-6-13-5-4-7-16-13/h9-10,13,16-17H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline?
4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).