2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine

C14H14F2N2O — CID 54902891

IUPAC2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
SMILESCOc1ccc(C)cc1Nc1c(F)cc(N)cc1F
InChIInChI=1S/C14H14F2N2O/c1-8-3-4-13(19-2)12(5-8)18-14-10(15)6-9(17)7-11(14)16/h3-7,18H,17H2,1-2H3
InChIKeyQVHPGVSRTFYHMA-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.61
Rot. Bonds3

About 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine

2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine (PubChem CID 54902891) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
PubChem CID54902891
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
SMILESCOc1ccc(C)cc1Nc1c(F)cc(N)cc1F
InChIInChI=1S/C14H14F2N2O/c1-8-3-4-13(19-2)12(5-8)18-14-10(15)6-9(17)7-11(14)16/h3-7,18H,17H2,1-2H3
InChIKeyQVHPGVSRTFYHMA-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.61
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-chloro-5-fluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 66078169
5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
CID 107192996
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine
CID 57231048
2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
CID 95476937
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
2,6-difluoro-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 54902575
4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzenecarbothioamide
CID 81286336
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine (CID 54902891) is 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine is COc1ccc(C)cc1Nc1c(F)cc(N)cc1F.
What is the InChIKey of 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine?
The InChIKey is QVHPGVSRTFYHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-3-4-13(19-2)12(5-8)18-14-10(15)6-9(17)7-11(14)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 54902891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).