N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine

C15H24N2O — CID 115145678

IUPACN-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1cc(C)c(C)cc1NC1CNC(C)(C)C1
InChIInChI=1S/C15H24N2O/c1-10-6-13(14(18-5)7-11(10)2)17-12-8-15(3,4)16-9-12/h6-7,12,16-17H,8-9H2,1-5H3
InChIKeyCKACBRGOPJPODC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds3

About N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine

N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115145678) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID115145678
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1cc(C)c(C)cc1NC1CNC(C)(C)C1
InChIInChI=1S/C15H24N2O/c1-10-6-13(14(18-5)7-11(10)2)17-12-8-15(3,4)16-9-12/h6-7,12,16-17H,8-9H2,1-5H3
InChIKeyCKACBRGOPJPODC-UHFFFAOYSA-N
XLogP2.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
N-(2,5-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145681
N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145682
5,5-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115145890
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
N-(4,5-dimethoxy-2-methylphenyl)-5,5-dimethylthian-3-amine
CID 79958697
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
CID 115146036
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
N-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylpyrrolidin-3-amine
CID 115145666
N-(5,5-dimethylpyrrolidin-3-yl)pyridin-2-amine
CID 115145743
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
4,5-dimethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 43716724

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine (CID 115145678) is N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine is COc1cc(C)c(C)cc1NC1CNC(C)(C)C1.
What is the InChIKey of N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is CKACBRGOPJPODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-6-13(14(18-5)7-11(10)2)17-12-8-15(3,4)16-9-12/h6-7,12,16-17H,8-9H2,1-5H3.
What are the key properties of N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine?
N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).