4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine

C17H15FN2 — CID 115124737

IUPAC4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
SMILESCc1ccc2cc(Nc3ccc(F)cc3N)ccc2c1
InChIInChI=1S/C17H15FN2/c1-11-2-3-13-9-15(6-4-12(13)8-11)20-17-7-5-14(18)10-16(17)19/h2-10,20H,19H2,1H3
InChIKeyADMXYTXCEOEEMG-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.61
Rot. Bonds2

About 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine

4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine (PubChem CID 115124737) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
PubChem CID115124737
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
SMILESCc1ccc2cc(Nc3ccc(F)cc3N)ccc2c1
InChIInChI=1S/C17H15FN2/c1-11-2-3-13-9-15(6-4-12(13)8-11)20-17-7-5-14(18)10-16(17)19/h2-10,20H,19H2,1H3
InChIKeyADMXYTXCEOEEMG-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 62376460
4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine
CID 115124716
3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115125644
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine (CID 115124737) is 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine is Cc1ccc2cc(Nc3ccc(F)cc3N)ccc2c1.
What is the InChIKey of 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
The InChIKey is ADMXYTXCEOEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-11-2-3-13-9-15(6-4-12(13)8-11)20-17-7-5-14(18)10-16(17)19/h2-10,20H,19H2,1H3.
What are the key properties of 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine has a molecular weight of 266.32 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115124737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).