N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine

C12H20FN3 — CID 104638488

IUPACN',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(F)cn1
InChIInChI=1S/C12H20FN3/c1-3-16(4-2)8-7-14-10-12-6-5-11(13)9-15-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyJTNWKTKAOKGQRN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.65
Rot. Bonds7

About N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 104638488) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID104638488
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC NameN',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(F)cn1
InChIInChI=1S/C12H20FN3/c1-3-16(4-2)8-7-14-10-12-6-5-11(13)9-15-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyJTNWKTKAOKGQRN-UHFFFAOYSA-N
XLogP1.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine
CID 23395819
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921
N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
N-[(2-bromo-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 114559162
N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 83960493
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine (CID 104638488) is N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc(F)cn1.
What is the InChIKey of N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is JTNWKTKAOKGQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-3-16(4-2)8-7-14-10-12-6-5-11(13)9-15-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 225.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104638488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).