(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine

C11H12FN — CID 13340039

IUPAC(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine
SMILESNCC1=CCCc2c(F)cccc21
InChIInChI=1S/C11H12FN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2-4,6H,1,5,7,13H2
InChIKeyUKJXNRLDIBYCOW-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.11
Rot. Bonds1

About (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine

(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine (PubChem CID 13340039) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine
PubChem CID13340039
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine
SMILESNCC1=CCCc2c(F)cccc21
InChIInChI=1S/C11H12FN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2-4,6H,1,5,7,13H2
InChIKeyUKJXNRLDIBYCOW-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine?
The IUPAC name of (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine (CID 13340039) is (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine?
The canonical SMILES for (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine is NCC1=CCCc2c(F)cccc21.
What is the InChIKey of (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine?
The InChIKey is UKJXNRLDIBYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2-4,6H,1,5,7,13H2.
What are the key properties of (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine?
(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine has a molecular weight of 177.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 13340039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).