N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine

C12H17FN2 — CID 62976143

IUPACN-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine
SMILESCc1ccc(NC2CCN(C)C2)c(F)c1
InChIInChI=1S/C12H17FN2/c1-9-3-4-12(11(13)7-9)14-10-5-6-15(2)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyIBUATDUHCPGCMZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.25
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine

N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 62976143) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine
PubChem CID62976143
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine
SMILESCc1ccc(NC2CCN(C)C2)c(F)c1
InChIInChI=1S/C12H17FN2/c1-9-3-4-12(11(13)7-9)14-10-5-6-15(2)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyIBUATDUHCPGCMZ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine (CID 62976143) is N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine is Cc1ccc(NC2CCN(C)C2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is IBUATDUHCPGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-3-4-12(11(13)7-9)14-10-5-6-15(2)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine?
N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 208.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62976143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).