4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine

C15H17FN2O — CID 115124095

IUPAC4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
SMILESCOc1ccc(N(C)c2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H17FN2O/c1-10-8-12(5-7-15(10)19-3)18(2)14-9-11(16)4-6-13(14)17/h4-9H,17H2,1-3H3
InChIKeyCBIPTDXCELNTSA-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.49
Rot. Bonds3

About 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine

4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 115124095) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID115124095
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
SMILESCOc1ccc(N(C)c2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H17FN2O/c1-10-8-12(5-7-15(10)19-3)18(2)14-9-11(16)4-6-13(14)17/h4-9H,17H2,1-3H3
InChIKeyCBIPTDXCELNTSA-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine
CID 107259108
N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 62132256
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115127668
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
CID 83001687
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine (CID 115124095) is 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine is COc1ccc(N(C)c2cc(F)ccc2N)cc1C.
What is the InChIKey of 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is CBIPTDXCELNTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-8-12(5-7-15(10)19-3)18(2)14-9-11(16)4-6-13(14)17/h4-9H,17H2,1-3H3.
What are the key properties of 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine?
4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).