5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline

C13H19FN2 — CID 89145585

IUPAC5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline
SMILESNc1cc(CF)ccc1CCN1CCCC1
InChIInChI=1S/C13H19FN2/c14-10-11-3-4-12(13(15)9-11)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8,10,15H2
InChIKeyMHZHDWHOYUHESU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.38
Rot. Bonds4

About 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline

5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 89145585) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID89145585
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline
SMILESNc1cc(CF)ccc1CCN1CCCC1
InChIInChI=1S/C13H19FN2/c14-10-11-3-4-12(13(15)9-11)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8,10,15H2
InChIKeyMHZHDWHOYUHESU-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 21398319
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
CID 69243244
3-chloro-4-(2-pyrrolidin-1-ylethyl)aniline
CID 68818430
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline
CID 137374606
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
4-(pyrrolidin-1-ylmethyl)benzene-1,3-diamine;hydrochloride
CID 22328120
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
CID 57421481

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline (CID 89145585) is 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline is Nc1cc(CF)ccc1CCN1CCCC1.
What is the InChIKey of 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is MHZHDWHOYUHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-10-11-3-4-12(13(15)9-11)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8,10,15H2.
What are the key properties of 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline?
5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 222.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 89145585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).