N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine

C16H20FN3 — CID 83121997

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2F)cn1
InChIInChI=1S/C16H20FN3/c1-12(18-2)16-9-8-14(10-19-16)20(3)11-13-6-4-5-7-15(13)17/h4-10,12,18H,11H2,1-3H3
InChIKeyYUWQYIJCEKSQHW-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine

N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine (PubChem CID 83121997) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
PubChem CID83121997
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2F)cn1
InChIInChI=1S/C16H20FN3/c1-12(18-2)16-9-8-14(10-19-16)20(3)11-13-6-4-5-7-15(13)17/h4-10,12,18H,11H2,1-3H3
InChIKeyYUWQYIJCEKSQHW-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine (CID 83121997) is N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine is CNC(C)c1ccc(N(C)Cc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
The InChIKey is YUWQYIJCEKSQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12(18-2)16-9-8-14(10-19-16)20(3)11-13-6-4-5-7-15(13)17/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine has a molecular weight of 273.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 83121997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).