N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H18F2N2 — CID 103584698

IUPACN-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1cc(F)c(NC2CCN3CCCC23)cc1F
InChIInChI=1S/C14H18F2N2/c1-9-7-11(16)13(8-10(9)15)17-12-4-6-18-5-2-3-14(12)18/h7-8,12,14,17H,2-6H2,1H3
InChIKeyHXHSVNROVTWJJR-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.92
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 103584698) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID103584698
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1cc(F)c(NC2CCN3CCCC23)cc1F
InChIInChI=1S/C14H18F2N2/c1-9-7-11(16)13(8-10(9)15)17-12-4-6-18-5-2-3-14(12)18/h7-8,12,14,17H,2-6H2,1H3
InChIKeyHXHSVNROVTWJJR-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 103584698) is N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cc1cc(F)c(NC2CCN3CCCC23)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is HXHSVNROVTWJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-9-7-11(16)13(8-10(9)15)17-12-4-6-18-5-2-3-14(12)18/h7-8,12,14,17H,2-6H2,1H3.
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 252.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 103584698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).