[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine

C13H19FN2 — CID 115033504

IUPAC[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
SMILESCC(F)(c1cccc(CN)c1)C1CCNC1
InChIInChI=1S/C13H19FN2/c1-13(14,12-5-6-16-9-12)11-4-2-3-10(7-11)8-15/h2-4,7,12,16H,5-6,8-9,15H2,1H3
InChIKeyHAIDCNBHSQKTEF-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.94
Rot. Bonds3

About [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine

[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine (PubChem CID 115033504) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
PubChem CID115033504
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
SMILESCC(F)(c1cccc(CN)c1)C1CCNC1
InChIInChI=1S/C13H19FN2/c1-13(14,12-5-6-16-9-12)11-4-2-3-10(7-11)8-15/h2-4,7,12,16H,5-6,8-9,15H2,1H3
InChIKeyHAIDCNBHSQKTEF-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641
4-(1-fluoro-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115042008
(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 125492642
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine
CID 82625311
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854
[3-(2-chloropropan-2-yl)phenyl]methanamine
CID 174940258
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951

Frequently Asked Questions

What is the IUPAC name of [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine?
The IUPAC name of [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine (CID 115033504) is [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine.
What is the SMILES notation for [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine?
The canonical SMILES for [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine is CC(F)(c1cccc(CN)c1)C1CCNC1.
What is the InChIKey of [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine?
The InChIKey is HAIDCNBHSQKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(14,12-5-6-16-9-12)11-4-2-3-10(7-11)8-15/h2-4,7,12,16H,5-6,8-9,15H2,1H3.
What are the key properties of [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine?
[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine is sourced from PubChem (CID 115033504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).