(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine

C12H16FN — CID 84720150

IUPAC(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESCC1(CN)CCc2c(F)cccc2C1
InChIInChI=1S/C12H16FN/c1-12(8-14)6-5-10-9(7-12)3-2-4-11(10)13/h2-4H,5-8,14H2,1H3
InChIKeyJMZWBSIORBWJII-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.28
Rot. Bonds1

About (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine

(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine (PubChem CID 84720150) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
PubChem CID84720150
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESCC1(CN)CCc2c(F)cccc2C1
InChIInChI=1S/C12H16FN/c1-12(8-14)6-5-10-9(7-12)3-2-4-11(10)13/h2-4H,5-8,14H2,1H3
InChIKeyJMZWBSIORBWJII-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The IUPAC name of (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine (CID 84720150) is (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine is CC1(CN)CCc2c(F)cccc2C1.
What is the InChIKey of (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The InChIKey is JMZWBSIORBWJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-12(8-14)6-5-10-9(7-12)3-2-4-11(10)13/h2-4H,5-8,14H2,1H3.
What are the key properties of (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
(5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine has a molecular weight of 193.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine is sourced from PubChem (CID 84720150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).