2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline

C11H15FN2 — CID 121201019

IUPAC2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
SMILESNc1ccccc1N1CCC(CF)C1
InChIInChI=1S/C11H15FN2/c12-7-9-5-6-14(8-9)11-4-2-1-3-10(11)13/h1-4,9H,5-8,13H2
InChIKeyHOCSVAYRPPWSSM-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.06
Rot. Bonds2

About 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline

2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline (PubChem CID 121201019) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline.

Molecular Properties

Compound Name2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
PubChem CID121201019
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
SMILESNc1ccccc1N1CCC(CF)C1
InChIInChI=1S/C11H15FN2/c12-7-9-5-6-14(8-9)11-4-2-1-3-10(11)13/h1-4,9H,5-8,13H2
InChIKeyHOCSVAYRPPWSSM-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.06
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

2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
2-[3-(methylsulfonylmethyl)piperidin-1-yl]aniline
CID 171546472
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
CID 156796662
2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
2-(3-phenylpiperidin-1-yl)aniline
CID 166583741
2-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]aniline
CID 166583746
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline?
The IUPAC name of 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline (CID 121201019) is 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline.
What is the SMILES notation for 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline?
The canonical SMILES for 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline is Nc1ccccc1N1CCC(CF)C1.
What is the InChIKey of 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline?
The InChIKey is HOCSVAYRPPWSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-7-9-5-6-14(8-9)11-4-2-1-3-10(11)13/h1-4,9H,5-8,13H2.
What are the key properties of 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline?
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline has a molecular weight of 194.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline is sourced from PubChem (CID 121201019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).