3-(3-fluorophenyl)pyrrolidin-1-amine

C10H13FN2 — CID 83529953

IUPAC3-(3-fluorophenyl)pyrrolidin-1-amine
SMILESNN1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C10H13FN2/c11-10-3-1-2-8(6-10)9-4-5-13(12)7-9/h1-3,6,9H,4-5,7,12H2
InChIKeyVDLYZWNWGOAFBC-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.49
Rot. Bonds1

About 3-(3-fluorophenyl)pyrrolidin-1-amine

3-(3-fluorophenyl)pyrrolidin-1-amine (PubChem CID 83529953) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(3-fluorophenyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)pyrrolidin-1-amine
PubChem CID83529953
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-(3-fluorophenyl)pyrrolidin-1-amine
SMILESNN1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C10H13FN2/c11-10-3-1-2-8(6-10)9-4-5-13(12)7-9/h1-3,6,9H,4-5,7,12H2
InChIKeyVDLYZWNWGOAFBC-UHFFFAOYSA-N
XLogP1.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931475
3-(4-fluorophenyl)piperidin-1-amine
CID 83531194
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
benzyl (2R)-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoate
CID 142021426
1-ethyl-4-(3-fluorophenyl)piperidin-2-one
CID 139936201
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230
1-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95598407
[5-(3-fluorophenyl)oxan-2-yl]methanamine
CID 165449279
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole
CID 86814329
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)pyrrolidin-1-amine?
The IUPAC name of 3-(3-fluorophenyl)pyrrolidin-1-amine (CID 83529953) is 3-(3-fluorophenyl)pyrrolidin-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)pyrrolidin-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)pyrrolidin-1-amine is NN1CCC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)pyrrolidin-1-amine?
The InChIKey is VDLYZWNWGOAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-10-3-1-2-8(6-10)9-4-5-13(12)7-9/h1-3,6,9H,4-5,7,12H2.
What are the key properties of 3-(3-fluorophenyl)pyrrolidin-1-amine?
3-(3-fluorophenyl)pyrrolidin-1-amine has a molecular weight of 180.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)pyrrolidin-1-amine is sourced from PubChem (CID 83529953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).