N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

C15H18FN3 — CID 81247042

IUPACN-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCNCc1cnc(C)cc1N(C)c1cccc(F)c1
InChIInChI=1S/C15H18FN3/c1-11-7-15(12(9-17-2)10-18-11)19(3)14-6-4-5-13(16)8-14/h4-8,10,17H,9H2,1-3H3
InChIKeyCMIHMCVDJVAMBV-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.02
Rot. Bonds4

About N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (PubChem CID 81247042) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
PubChem CID81247042
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCNCc1cnc(C)cc1N(C)c1cccc(F)c1
InChIInChI=1S/C15H18FN3/c1-11-7-15(12(9-17-2)10-18-11)19(3)14-6-4-5-13(16)8-14/h4-8,10,17H,9H2,1-3H3
InChIKeyCMIHMCVDJVAMBV-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (CID 81247042) is N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is CNCc1cnc(C)cc1N(C)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The InChIKey is CMIHMCVDJVAMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-7-15(12(9-17-2)10-18-11)19(3)14-6-4-5-13(16)8-14/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81247042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).