1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine

C20H20FN3 — CID 167216812

IUPAC1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
SMILESCCNc1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1N
InChIInChI=1S/C20H20FN3/c1-3-23-19-9-7-14(12-18(19)22)16-5-4-10-24-20(16)15-6-8-17(21)13(2)11-15/h4-12,23H,3,22H2,1-2H3
InChIKeyLKDWSVNFVNLZPU-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.88
Rot. Bonds4

About 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine

1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine (PubChem CID 167216812) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
PubChem CID167216812
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
SMILESCCNc1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1N
InChIInChI=1S/C20H20FN3/c1-3-23-19-9-7-14(12-18(19)22)16-5-4-10-24-20(16)15-6-8-17(21)13(2)11-15/h4-12,23H,3,22H2,1-2H3
InChIKeyLKDWSVNFVNLZPU-UHFFFAOYSA-N
XLogP4.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide
CID 123139933
1-[[2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]propan-2-ol
CID 139453678
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
CID 118437878
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
CID 90095042
7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine
CID 123470033
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)-3-methanimidoylbenzamide
CID 167217299
1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol
CID 175830957
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095810
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592
2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 90096296

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine (CID 167216812) is 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine is CCNc1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1N.
What is the InChIKey of 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine?
The InChIKey is LKDWSVNFVNLZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-3-23-19-9-7-14(12-18(19)22)16-5-4-10-24-20(16)15-6-8-17(21)13(2)11-15/h4-12,23H,3,22H2,1-2H3.
What are the key properties of 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine?
1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine has a molecular weight of 321.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine is sourced from PubChem (CID 167216812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).