(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C17H25NO2 — CID 106982073

IUPAC(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCOc1cc(C)c(C(=O)C2(C(C)C)CCNC2)cc1C
InChIInChI=1S/C17H25NO2/c1-11(2)17(6-7-18-10-17)16(19)14-8-13(4)15(20-5)9-12(14)3/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyDXDFGEBZCMNHFB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds4

About (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982073) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982073
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCOc1cc(C)c(C(=O)C2(C(C)C)CCNC2)cc1C
InChIInChI=1S/C17H25NO2/c1-11(2)17(6-7-18-10-17)16(19)14-8-13(4)15(20-5)9-12(14)3/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyDXDFGEBZCMNHFB-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
(2-methoxy-4,6-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982144
(2-methoxy-3,4-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982309
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116573146
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982171
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982073) is (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is COc1cc(C)c(C(=O)C2(C(C)C)CCNC2)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is DXDFGEBZCMNHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)17(6-7-18-10-17)16(19)14-8-13(4)15(20-5)9-12(14)3/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).