1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine

C14H19FN2 — CID 79055593

IUPAC1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
SMILESCc1cc(F)cc(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H19FN2/c1-10-6-11(15)8-13(7-10)16-12-4-5-17(9-12)14-2-3-14/h6-8,12,14,16H,2-5,9H2,1H3
InChIKeyWYXAMIBKFAGKJV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.78
Rot. Bonds3

About 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine

1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine (PubChem CID 79055593) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
PubChem CID79055593
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
SMILESCc1cc(F)cc(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H19FN2/c1-10-6-11(15)8-13(7-10)16-12-4-5-17(9-12)14-2-3-14/h6-8,12,14,16H,2-5,9H2,1H3
InChIKeyWYXAMIBKFAGKJV-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine (CID 79055593) is 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine is Cc1cc(F)cc(NC2CCN(C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine?
The InChIKey is WYXAMIBKFAGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-10-6-11(15)8-13(7-10)16-12-4-5-17(9-12)14-2-3-14/h6-8,12,14,16H,2-5,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine has a molecular weight of 234.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79055593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).