3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine

C23H18FN — CID 69301528

IUPAC3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine
SMILESCc1ccccc1-c1c(N)c(-c2cccc(F)c2)cc2ccccc12
InChIInChI=1S/C23H18FN/c1-15-7-2-4-11-19(15)22-20-12-5-3-8-17(20)14-21(23(22)25)16-9-6-10-18(24)13-16/h2-14H,25H2,1H3
InChIKeyJNXFLAAPYBYTCQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP6.20
Rot. Bonds2

About 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine

3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine (PubChem CID 69301528) has the molecular formula C23H18FN and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine
PubChem CID69301528
Molecular FormulaC23H18FN
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine
SMILESCc1ccccc1-c1c(N)c(-c2cccc(F)c2)cc2ccccc12
InChIInChI=1S/C23H18FN/c1-15-7-2-4-11-19(15)22-20-12-5-3-8-17(20)14-21(23(22)25)16-9-6-10-18(24)13-16/h2-14H,25H2,1H3
InChIKeyJNXFLAAPYBYTCQ-UHFFFAOYSA-N
XLogP6.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 56.20
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 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine?
The IUPAC name of 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine (CID 69301528) is 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine is Cc1ccccc1-c1c(N)c(-c2cccc(F)c2)cc2ccccc12.
What is the InChIKey of 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine?
The InChIKey is JNXFLAAPYBYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN/c1-15-7-2-4-11-19(15)22-20-12-5-3-8-17(20)14-21(23(22)25)16-9-6-10-18(24)13-16/h2-14H,25H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine?
3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine has a molecular weight of 327.40 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(2-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 69301528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).