2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine

C14H21NO — CID 82286064

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
SMILESCOc1c(C)cc(C2CCCN2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-9-8-12(13-6-5-7-15-13)10(2)11(3)14(9)16-4/h8,13,15H,5-7H2,1-4H3
InChIKeyHPGVPBCQVDIDIL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine

2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine (PubChem CID 82286064) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
PubChem CID82286064
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
SMILESCOc1c(C)cc(C2CCCN2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-9-8-12(13-6-5-7-15-13)10(2)11(3)14(9)16-4/h8,13,15H,5-7H2,1-4H3
InChIKeyHPGVPBCQVDIDIL-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
CID 84698765
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
2-methoxy-5,6-dimethyl-3-piperidin-2-ylphenol
CID 117343133
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
CID 165356724

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine (CID 82286064) is 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine is COc1c(C)cc(C2CCCN2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine?
The InChIKey is HPGVPBCQVDIDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-8-12(13-6-5-7-15-13)10(2)11(3)14(9)16-4/h8,13,15H,5-7H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine?
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine is sourced from PubChem (CID 82286064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).