3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline

C11H15FN2 — CID 115019869

IUPAC3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline
SMILESCC1(F)CCN(c2cccc(N)c2)C1
InChIInChI=1S/C11H15FN2/c1-11(12)5-6-14(8-11)10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,13H2,1H3
InChIKeyIZFONHVJZDSVRF-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.21
Rot. Bonds1

About 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline

3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline (PubChem CID 115019869) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline
PubChem CID115019869
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline
SMILESCC1(F)CCN(c2cccc(N)c2)C1
InChIInChI=1S/C11H15FN2/c1-11(12)5-6-14(8-11)10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,13H2,1H3
InChIKeyIZFONHVJZDSVRF-UHFFFAOYSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.21
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

3-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033481
3-(3,3-difluoro-4-methylpiperazin-1-yl)aniline
CID 153373622
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957
3-(2-azaspiro[3.5]nonan-2-yl)aniline
CID 79689315
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline
CID 130865447
4-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033479
6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one
CID 105471201
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
3-(3,6-dihydro-2H-pyridin-1-yl)aniline
CID 130964450
3-(1,4-diazepan-1-yl)aniline
CID 22478590
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline?
The IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline (CID 115019869) is 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline?
The canonical SMILES for 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline is CC1(F)CCN(c2cccc(N)c2)C1.
What is the InChIKey of 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline?
The InChIKey is IZFONHVJZDSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-11(12)5-6-14(8-11)10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,13H2,1H3.
What are the key properties of 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline?
3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline has a molecular weight of 194.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 115019869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).