4-fluoro-N-methylnaphthalen-1-amine

C11H10FN — CID 67709157

IUPAC4-fluoro-N-methylnaphthalen-1-amine
SMILESCNc1ccc(F)c2ccccc12
InChIInChI=1S/C11H10FN/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3
InChIKeyTXJNRGDNYWQYOR-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.02
Rot. Bonds1

About 4-fluoro-N-methylnaphthalen-1-amine

4-fluoro-N-methylnaphthalen-1-amine (PubChem CID 67709157) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-fluoro-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methylnaphthalen-1-amine
PubChem CID67709157
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name4-fluoro-N-methylnaphthalen-1-amine
SMILESCNc1ccc(F)c2ccccc12
InChIInChI=1S/C11H10FN/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3
InChIKeyTXJNRGDNYWQYOR-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylnaphthalen-1-amine?
The IUPAC name of 4-fluoro-N-methylnaphthalen-1-amine (CID 67709157) is 4-fluoro-N-methylnaphthalen-1-amine.
What is the SMILES notation for 4-fluoro-N-methylnaphthalen-1-amine?
The canonical SMILES for 4-fluoro-N-methylnaphthalen-1-amine is CNc1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-methylnaphthalen-1-amine?
The InChIKey is TXJNRGDNYWQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3.
What are the key properties of 4-fluoro-N-methylnaphthalen-1-amine?
4-fluoro-N-methylnaphthalen-1-amine has a molecular weight of 175.21 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylnaphthalen-1-amine is sourced from PubChem (CID 67709157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).