N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine

C16H20FN3 — CID 133483867

IUPACN'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3/c1-13-4-3-5-16(19-13)18-10-11-20(2)12-14-6-8-15(17)9-7-14/h3-9H,10-12H2,1-2H3,(H,18,19)
InChIKeyJMGAWTDFBNRNAA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.07
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine

N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 133483867) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID133483867
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3/c1-13-4-3-5-16(19-13)18-10-11-20(2)12-14-6-8-15(17)9-7-14/h3-9H,10-12H2,1-2H3,(H,18,19)
InChIKeyJMGAWTDFBNRNAA-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
1-(4-fluorophenyl)-N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79243570
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
N-methyl-2-[4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]ethanamine
CID 105348013
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79310631
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629
N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62849223
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine (CID 133483867) is N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine is Cc1cccc(NCCN(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is JMGAWTDFBNRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-13-4-3-5-16(19-13)18-10-11-20(2)12-14-6-8-15(17)9-7-14/h3-9H,10-12H2,1-2H3,(H,18,19).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 273.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 133483867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).