5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine

C10H15ClFN3O — CID 103552508

IUPAC5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine
SMILESCOCC(C)Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C10H15ClFN3O/c1-5(4-16-2)15-10-7(14)3-6(13)8(11)9(10)12/h3,5,15H,4,13-14H2,1-2H3
InChIKeyWCPJKMYMLUOPRV-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.09
Rot. Bonds4

About 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine

5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine (PubChem CID 103552508) has the molecular formula C10H15ClFN3O and a molecular weight of 247.70 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine
PubChem CID103552508
Molecular FormulaC10H15ClFN3O
Molecular Weight247.70 g/mol
Exact Mass247.09
IUPAC Name5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine
SMILESCOCC(C)Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C10H15ClFN3O/c1-5(4-16-2)15-10-7(14)3-6(13)8(11)9(10)12/h3,5,15H,4,13-14H2,1-2H3
InChIKeyWCPJKMYMLUOPRV-UHFFFAOYSA-N
XLogP2.09
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine (CID 103552508) is 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine is COCC(C)Nc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine?
The InChIKey is WCPJKMYMLUOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3O/c1-5(4-16-2)15-10-7(14)3-6(13)8(11)9(10)12/h3,5,15H,4,13-14H2,1-2H3.
What are the key properties of 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine has a molecular weight of 247.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,2,4-triamine is sourced from PubChem (CID 103552508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).