2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine

C18H27NO — CID 117436699

IUPAC2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)c(OC2CCCC2)c1C
InChIInChI=1S/C18H27NO/c1-13-9-10-15(12-16-6-5-11-19-16)18(14(13)2)20-17-7-3-4-8-17/h9-10,16-17,19H,3-8,11-12H2,1-2H3
InChIKeyCNLKGQDHWZDTDF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.92
Rot. Bonds4

About 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine

2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine (PubChem CID 117436699) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
PubChem CID117436699
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)c(OC2CCCC2)c1C
InChIInChI=1S/C18H27NO/c1-13-9-10-15(12-16-6-5-11-19-16)18(14(13)2)20-17-7-3-4-8-17/h9-10,16-17,19H,3-8,11-12H2,1-2H3
InChIKeyCNLKGQDHWZDTDF-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
CID 117487419
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine (CID 117436699) is 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine is Cc1ccc(CC2CCCN2)c(OC2CCCC2)c1C.
What is the InChIKey of 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is CNLKGQDHWZDTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-9-10-15(12-16-6-5-11-19-16)18(14(13)2)20-17-7-3-4-8-17/h9-10,16-17,19H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine?
2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 273.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117436699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).