N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

C16H20FN3 — CID 62555848

IUPACN'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCc1cccnc1)c1ccccc1F
InChIInChI=1S/C16H20FN3/c1-2-20(16-8-4-3-7-15(16)17)11-10-19-13-14-6-5-9-18-12-14/h3-9,12,19H,2,10-11,13H2,1H3
InChIKeyWEIARJZPOVHHNI-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.84
Rot. Bonds7

About N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62555848) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID62555848
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCc1cccnc1)c1ccccc1F
InChIInChI=1S/C16H20FN3/c1-2-20(16-8-4-3-7-15(16)17)11-10-19-13-14-6-5-9-18-12-14/h3-9,12,19H,2,10-11,13H2,1H3
InChIKeyWEIARJZPOVHHNI-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N'-phenyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 64584475
N'-ethyl-N-(pyridin-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556127
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
CID 103191849
N'-methyl-N'-(2-methylbutyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62561508
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 62555848) is N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is CCN(CCNCc1cccnc1)c1ccccc1F.
What is the InChIKey of N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is WEIARJZPOVHHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-20(16-8-4-3-7-15(16)17)11-10-19-13-14-6-5-9-18-12-14/h3-9,12,19H,2,10-11,13H2,1H3.
What are the key properties of N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 273.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).