4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine

C15H17FN2O — CID 103590122

IUPAC4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine
SMILESCOCc1cccc(Nc2cc(C)c(F)cc2N)c1
InChIInChI=1S/C15H17FN2O/c1-10-6-15(14(17)8-13(10)16)18-12-5-3-4-11(7-12)9-19-2/h3-8,18H,9,17H2,1-2H3
InChIKeyODJVILQQZZWBKP-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.61
Rot. Bonds4

About 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine

4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine (PubChem CID 103590122) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine
PubChem CID103590122
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine
SMILESCOCc1cccc(Nc2cc(C)c(F)cc2N)c1
InChIInChI=1S/C15H17FN2O/c1-10-6-15(14(17)8-13(10)16)18-12-5-3-4-11(7-12)9-19-2/h3-8,18H,9,17H2,1-2H3
InChIKeyODJVILQQZZWBKP-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine (CID 103590122) is 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine is COCc1cccc(Nc2cc(C)c(F)cc2N)c1.
What is the InChIKey of 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine?
The InChIKey is ODJVILQQZZWBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-6-15(14(17)8-13(10)16)18-12-5-3-4-11(7-12)9-19-2/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine?
4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).