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

C17H15FN2 — CID 115125644

IUPAC3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
SMILESCc1ccc2cc(Nc3c(N)cccc3F)ccc2c1
InChIInChI=1S/C17H15FN2/c1-11-5-6-13-10-14(8-7-12(13)9-11)20-17-15(18)3-2-4-16(17)19/h2-10,20H,19H2,1H3
InChIKeySPLXTOJDBQORHM-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.61
Rot. Bonds2

About 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine

3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine (PubChem CID 115125644) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
PubChem CID115125644
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
SMILESCc1ccc2cc(Nc3c(N)cccc3F)ccc2c1
InChIInChI=1S/C17H15FN2/c1-11-5-6-13-10-14(8-7-12(13)9-11)20-17-15(18)3-2-4-16(17)19/h2-10,20H,19H2,1H3
InChIKeySPLXTOJDBQORHM-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

3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 115125585
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
2-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 115125595
3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115125636
4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450
2,6-difluoro-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 54902575
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
(6-methylnaphthalen-2-yl)hydrazine
CID 59593900
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
CID 104528342
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
3-amino-2-(naphthalen-2-ylamino)benzoic acid
CID 115934693

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine (CID 115125644) is 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine is Cc1ccc2cc(Nc3c(N)cccc3F)ccc2c1.
What is the InChIKey of 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
The InChIKey is SPLXTOJDBQORHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-11-5-6-13-10-14(8-7-12(13)9-11)20-17-15(18)3-2-4-16(17)19/h2-10,20H,19H2,1H3.
What are the key properties of 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine?
3-fluoro-2-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 3-fluoro-2-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).