N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C16H20FN3 — CID 9810

IUPACN'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H20FN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
InChIKeyVKMKSMCOLOJDJQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.79
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 9810) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID9810
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H20FN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
InChIKeyVKMKSMCOLOJDJQ-UHFFFAOYSA-N
XLogP2.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 9810) is N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)CCN(Cc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is VKMKSMCOLOJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 273.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 9810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).