(6-fluoro-3-methylnaphthalen-2-yl)methanamine

C12H12FN — CID 20595173

IUPAC(6-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(F)ccc2cc1CN
InChIInChI=1S/C12H12FN/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14/h2-6H,7,14H2,1H3
InChIKeyOGSNVVMLMLVRCJ-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.75
Rot. Bonds1

About (6-fluoro-3-methylnaphthalen-2-yl)methanamine

(6-fluoro-3-methylnaphthalen-2-yl)methanamine (PubChem CID 20595173) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is (6-fluoro-3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-3-methylnaphthalen-2-yl)methanamine
PubChem CID20595173
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name(6-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(F)ccc2cc1CN
InChIInChI=1S/C12H12FN/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14/h2-6H,7,14H2,1H3
InChIKeyOGSNVVMLMLVRCJ-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (6-fluoro-3-methylnaphthalen-2-yl)methanamine (CID 20595173) is (6-fluoro-3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (6-fluoro-3-methylnaphthalen-2-yl)methanamine is Cc1cc2cc(F)ccc2cc1CN.
What is the InChIKey of (6-fluoro-3-methylnaphthalen-2-yl)methanamine?
The InChIKey is OGSNVVMLMLVRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14/h2-6H,7,14H2,1H3.
What are the key properties of (6-fluoro-3-methylnaphthalen-2-yl)methanamine?
(6-fluoro-3-methylnaphthalen-2-yl)methanamine has a molecular weight of 189.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 20595173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).