N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C15H21FN2 — CID 55081383

IUPACN-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C15H21FN2/c1-11-2-3-13(16)8-15(11)18-7-6-12(10-18)9-17-14-4-5-14/h2-3,8,12,14,17H,4-7,9-10H2,1H3
InChIKeyQBQUSWRYUWEKTH-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.71
Rot. Bonds4

About N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 55081383) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID55081383
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C15H21FN2/c1-11-2-3-13(16)8-15(11)18-7-6-12(10-18)9-17-14-4-5-14/h2-3,8,12,14,17H,4-7,9-10H2,1H3
InChIKeyQBQUSWRYUWEKTH-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 55081383) is N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is Cc1ccc(F)cc1N1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is QBQUSWRYUWEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11-2-3-13(16)8-15(11)18-7-6-12(10-18)9-17-14-4-5-14/h2-3,8,12,14,17H,4-7,9-10H2,1H3.
What are the key properties of N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 248.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55081383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).