N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine

C11H18FN3 — CID 52951947

IUPACN'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)CCc1ccnc(F)c1
InChIInChI=1S/C11H18FN3/c1-2-15(8-5-13)7-4-10-3-6-14-11(12)9-10/h3,6,9H,2,4-5,7-8,13H2,1H3
InChIKeyCTTASVILNLZVHW-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.04
Rot. Bonds6

About N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine (PubChem CID 52951947) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine
PubChem CID52951947
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC NameN'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)CCc1ccnc(F)c1
InChIInChI=1S/C11H18FN3/c1-2-15(8-5-13)7-4-10-3-6-14-11(12)9-10/h3,6,9H,2,4-5,7-8,13H2,1H3
InChIKeyCTTASVILNLZVHW-UHFFFAOYSA-N
XLogP1.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
CID 65431778
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
4-(bromomethyl)-2-fluoropyridine;hydrochloride
CID 23070684
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
ethane;2-fluoro-4-(methoxymethyl)pyridine
CID 169168193
2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
CID 143840195
N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine
CID 10376842
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
CID 14901824
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
CID 63887251
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine (CID 52951947) is N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine is CCN(CCN)CCc1ccnc(F)c1.
What is the InChIKey of N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine?
The InChIKey is CTTASVILNLZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-2-15(8-5-13)7-4-10-3-6-14-11(12)9-10/h3,6,9H,2,4-5,7-8,13H2,1H3.
What are the key properties of N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine has a molecular weight of 211.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 52951947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).