[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

C14H21FN2O — CID 117384340

IUPAC[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1ccc(C2CC(CN)CN2C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-18-11-4-5-12(13(15)7-11)14-6-10(8-16)9-17(14)2/h4-5,7,10,14H,3,6,8-9,16H2,1-2H3
InChIKeySBTXKGCPYMXINR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.18
Rot. Bonds4

About [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117384340) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117384340
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1ccc(C2CC(CN)CN2C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-18-11-4-5-12(13(15)7-11)14-6-10(8-16)9-17(14)2/h4-5,7,10,14H,3,6,8-9,16H2,1-2H3
InChIKeySBTXKGCPYMXINR-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
CID 117322190
[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117384325
[5-(5-chloro-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406206
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(5-bromo-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117490471
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
[5-(5-ethoxy-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475063
[5-(2-fluoro-5-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117117197
[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420275
[5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117429058
[5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117198

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117384340) is [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine is CCOc1ccc(C2CC(CN)CN2C)c(F)c1.
What is the InChIKey of [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is SBTXKGCPYMXINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-18-11-4-5-12(13(15)7-11)14-6-10(8-16)9-17(14)2/h4-5,7,10,14H,3,6,8-9,16H2,1-2H3.
What are the key properties of [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117384340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).