N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine

C15H24N2O — CID 115145867

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(CNC2CNC(C)(C)C2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-7-12(5-6-14(11)18-4)9-16-13-8-15(2,3)17-10-13/h5-7,13,16-17H,8-10H2,1-4H3
InChIKeyQFTFBWUQFFSMQA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.23
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine

N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115145867) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
PubChem CID115145867
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(CNC2CNC(C)(C)C2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-7-12(5-6-14(11)18-4)9-16-13-8-15(2,3)17-10-13/h5-7,13,16-17H,8-10H2,1-4H3
InChIKeyQFTFBWUQFFSMQA-UHFFFAOYSA-N
XLogP2.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
CID 115146036
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
5,5-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115145890
5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine
CID 115145878
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114792
N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145678
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
CID 115145923
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine (CID 115145867) is N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine is COc1ccc(CNC2CNC(C)(C)C2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is QFTFBWUQFFSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(5-6-14(11)18-4)9-16-13-8-15(2,3)17-10-13/h5-7,13,16-17H,8-10H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).