2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine

C17H25NO — CID 117402832

IUPAC2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine
SMILESCc1ccc(C2(C)CCCN2)c(OCC2CC2)c1C
InChIInChI=1S/C17H25NO/c1-12-5-8-15(17(3)9-4-10-18-17)16(13(12)2)19-11-14-6-7-14/h5,8,14,18H,4,6-7,9-11H2,1-3H3
InChIKeyDMLPAAYYJUOHDZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds4

About 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine

2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine (PubChem CID 117402832) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine
PubChem CID117402832
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine
SMILESCc1ccc(C2(C)CCCN2)c(OCC2CC2)c1C
InChIInChI=1S/C17H25NO/c1-12-5-8-15(17(3)9-4-10-18-17)16(13(12)2)19-11-14-6-7-14/h5,8,14,18H,4,6-7,9-11H2,1-3H3
InChIKeyDMLPAAYYJUOHDZ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-ol
CID 117336720
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
CID 84794783
2-(cyclopropylmethoxy)-1-(1-isocyanatocyclobutyl)-3,4-dimethylbenzene
CID 117431403
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
CID 117449114
2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 103433658
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethanol
CID 117314647
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117313031
3-[(2,3,6-trimethylphenoxy)methyl]azetidine
CID 116820174
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine (CID 117402832) is 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine is Cc1ccc(C2(C)CCCN2)c(OCC2CC2)c1C.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine?
The InChIKey is DMLPAAYYJUOHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-5-8-15(17(3)9-4-10-18-17)16(13(12)2)19-11-14-6-7-14/h5,8,14,18H,4,6-7,9-11H2,1-3H3.
What are the key properties of 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine?
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine has a molecular weight of 259.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).