1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine

C14H18F2N4 — CID 107049316

IUPAC1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cn(C)nn1)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N4/c1-3-17-12(8-13-9-20(2)19-18-13)6-10-4-5-11(15)7-14(10)16/h4-5,7,9,12,17H,3,6,8H2,1-2H3
InChIKeyNKLXRCRVWLUDNP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.86
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine

1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107049316) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107049316
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cn(C)nn1)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N4/c1-3-17-12(8-13-9-20(2)19-18-13)6-10-4-5-11(15)7-14(10)16/h4-5,7,9,12,17H,3,6,8H2,1-2H3
InChIKeyNKLXRCRVWLUDNP-UHFFFAOYSA-N
XLogP1.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
[1-(2-chloro-4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-yl]hydrazine
CID 107066047
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048839
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877670
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107049316) is 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine is CCNC(Cc1cn(C)nn1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is NKLXRCRVWLUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-3-17-12(8-13-9-20(2)19-18-13)6-10-4-5-11(15)7-14(10)16/h4-5,7,9,12,17H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine?
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 280.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107049316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).