N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine

C15H21FN2 — CID 29038637

IUPACN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine
SMILESC[C@@H](NC1CC1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H21FN2/c1-11(17-13-5-6-13)12-4-7-15(14(16)10-12)18-8-2-3-9-18/h4,7,10-11,13,17H,2-3,5-6,8-9H2,1H3/t11-/m1/s1
InChIKeyWKLZVUVKGQPICX-LLVKDONJSA-N
MW248.34 g/mol
LogP3.24
Rot. Bonds4

About N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine

N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine (PubChem CID 29038637) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine
PubChem CID29038637
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine
SMILESC[C@@H](NC1CC1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H21FN2/c1-11(17-13-5-6-13)12-4-7-15(14(16)10-12)18-8-2-3-9-18/h4,7,10-11,13,17H,2-3,5-6,8-9H2,1H3/t11-/m1/s1
InChIKeyWKLZVUVKGQPICX-LLVKDONJSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine (CID 29038637) is N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine is C[C@@H](NC1CC1)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine?
The InChIKey is WKLZVUVKGQPICX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11(17-13-5-6-13)12-4-7-15(14(16)10-12)18-8-2-3-9-18/h4,7,10-11,13,17H,2-3,5-6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine?
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine has a molecular weight of 248.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 29038637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).