2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine

C14H20FN — CID 11401773

IUPAC2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
SMILESCCC1CCCN1Cc1cccc(F)c1C
InChIInChI=1S/C14H20FN/c1-3-13-7-5-9-16(13)10-12-6-4-8-14(15)11(12)2/h4,6,8,13H,3,5,7,9-10H2,1-2H3
InChIKeyRHBIEKCPQOFVOZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.51
Rot. Bonds3

About 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine

2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine (PubChem CID 11401773) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
PubChem CID11401773
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
SMILESCCC1CCCN1Cc1cccc(F)c1C
InChIInChI=1S/C14H20FN/c1-3-13-7-5-9-16(13)10-12-6-4-8-14(15)11(12)2/h4,6,8,13H,3,5,7,9-10H2,1-2H3
InChIKeyRHBIEKCPQOFVOZ-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
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[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
4-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]phenol
CID 82982483
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine (CID 11401773) is 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine is CCC1CCCN1Cc1cccc(F)c1C.
What is the InChIKey of 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine?
The InChIKey is RHBIEKCPQOFVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-13-7-5-9-16(13)10-12-6-4-8-14(15)11(12)2/h4,6,8,13H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine?
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 11401773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).