N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine

C16H24FN3 — CID 81466934

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc(N3CCCC3)c(F)c2)CN1C
InChIInChI=1S/C16H24FN3/c1-12-9-14(11-19(12)2)18-13-5-6-16(15(17)10-13)20-7-3-4-8-20/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3
InChIKeyRXGCMTSCOYVJJF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.93
Rot. Bonds3

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466934) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466934
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc(N3CCCC3)c(F)c2)CN1C
InChIInChI=1S/C16H24FN3/c1-12-9-14(11-19(12)2)18-13-5-6-16(15(17)10-13)20-7-3-4-8-20/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3
InChIKeyRXGCMTSCOYVJJF-UHFFFAOYSA-N
XLogP2.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466934) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2ccc(N3CCCC3)c(F)c2)CN1C.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is RXGCMTSCOYVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12-9-14(11-19(12)2)18-13-5-6-16(15(17)10-13)20-7-3-4-8-20/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 277.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).