5-(2-fluoro-3-methylphenyl)naphthalen-1-amine

C17H14FN — CID 172677687

IUPAC5-(2-fluoro-3-methylphenyl)naphthalen-1-amine
SMILESCc1cccc(-c2cccc3c(N)cccc23)c1F
InChIInChI=1S/C17H14FN/c1-11-5-2-9-15(17(11)18)13-6-3-8-14-12(13)7-4-10-16(14)19/h2-10H,19H2,1H3
InChIKeyLXVYKECJJLGFGW-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.54
Rot. Bonds1

About 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine

5-(2-fluoro-3-methylphenyl)naphthalen-1-amine (PubChem CID 172677687) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)naphthalen-1-amine
PubChem CID172677687
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name5-(2-fluoro-3-methylphenyl)naphthalen-1-amine
SMILESCc1cccc(-c2cccc3c(N)cccc23)c1F
InChIInChI=1S/C17H14FN/c1-11-5-2-9-15(17(11)18)13-6-3-8-14-12(13)7-4-10-16(14)19/h2-10H,19H2,1H3
InChIKeyLXVYKECJJLGFGW-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine (CID 172677687) is 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine is Cc1cccc(-c2cccc3c(N)cccc23)c1F.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine?
The InChIKey is LXVYKECJJLGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-11-5-2-9-15(17(11)18)13-6-3-8-14-12(13)7-4-10-16(14)19/h2-10H,19H2,1H3.
What are the key properties of 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine?
5-(2-fluoro-3-methylphenyl)naphthalen-1-amine has a molecular weight of 251.30 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 172677687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).