2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine

C16H23NO — CID 117366139

IUPAC2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(OC2CCC2)c(CC2CCCN2)c1
InChIInChI=1S/C16H23NO/c1-12-7-8-16(18-15-5-2-6-15)13(10-12)11-14-4-3-9-17-14/h7-8,10,14-15,17H,2-6,9,11H2,1H3
InChIKeyBAINIUWXLSUZPF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine

2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine (PubChem CID 117366139) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
PubChem CID117366139
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(OC2CCC2)c(CC2CCCN2)c1
InChIInChI=1S/C16H23NO/c1-12-7-8-16(18-15-5-2-6-15)13(10-12)11-14-4-3-9-17-14/h7-8,10,14-15,17H,2-6,9,11H2,1H3
InChIKeyBAINIUWXLSUZPF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117418732
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
CID 117436699
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine (CID 117366139) is 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine is Cc1ccc(OC2CCC2)c(CC2CCCN2)c1.
What is the InChIKey of 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine?
The InChIKey is BAINIUWXLSUZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-8-16(18-15-5-2-6-15)13(10-12)11-14-4-3-9-17-14/h7-8,10,14-15,17H,2-6,9,11H2,1H3.
What are the key properties of 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine?
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117366139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).