3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine

C14H20FN — CID 84788099

IUPAC3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
SMILESCc1ccc(C(C)F)cc1CC1CCNC1
InChIInChI=1S/C14H20FN/c1-10-3-4-13(11(2)15)8-14(10)7-12-5-6-16-9-12/h3-4,8,11-12,16H,5-7,9H2,1-2H3
InChIKeyJIIDQLDDQHBPJH-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.18
Rot. Bonds3

About 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine

3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine (PubChem CID 84788099) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
PubChem CID84788099
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
SMILESCc1ccc(C(C)F)cc1CC1CCNC1
InChIInChI=1S/C14H20FN/c1-10-3-4-13(11(2)15)8-14(10)7-12-5-6-16-9-12/h3-4,8,11-12,16H,5-7,9H2,1-2H3
InChIKeyJIIDQLDDQHBPJH-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054208
2-bromo-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054197
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
CID 115053478
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
CID 117417365

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine?
The IUPAC name of 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine (CID 84788099) is 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine is Cc1ccc(C(C)F)cc1CC1CCNC1.
What is the InChIKey of 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine?
The InChIKey is JIIDQLDDQHBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-3-4-13(11(2)15)8-14(10)7-12-5-6-16-9-12/h3-4,8,11-12,16H,5-7,9H2,1-2H3.
What are the key properties of 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine?
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine is sourced from PubChem (CID 84788099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).