1-fluoro-8a-methyl-1H-naphthalen-2-amine

C11H12FN — CID 146232934

IUPAC1-fluoro-8a-methyl-1H-naphthalen-2-amine
SMILESCC12C=CC=CC1=CC=C(N)C2F
InChIInChI=1S/C11H12FN/c1-11-7-3-2-4-8(11)5-6-9(13)10(11)12/h2-7,10H,13H2,1H3
InChIKeyOTPJIJMPQFCUEE-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.24
Rot. Bonds

About 1-fluoro-8a-methyl-1H-naphthalen-2-amine

1-fluoro-8a-methyl-1H-naphthalen-2-amine (PubChem CID 146232934) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-fluoro-8a-methyl-1H-naphthalen-2-amine.

Molecular Properties

Compound Name1-fluoro-8a-methyl-1H-naphthalen-2-amine
PubChem CID146232934
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name1-fluoro-8a-methyl-1H-naphthalen-2-amine
SMILESCC12C=CC=CC1=CC=C(N)C2F
InChIInChI=1S/C11H12FN/c1-11-7-3-2-4-8(11)5-6-9(13)10(11)12/h2-7,10H,13H2,1H3
InChIKeyOTPJIJMPQFCUEE-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8a-methyl-1H-naphthalen-2-amine?
The IUPAC name of 1-fluoro-8a-methyl-1H-naphthalen-2-amine (CID 146232934) is 1-fluoro-8a-methyl-1H-naphthalen-2-amine.
What is the SMILES notation for 1-fluoro-8a-methyl-1H-naphthalen-2-amine?
The canonical SMILES for 1-fluoro-8a-methyl-1H-naphthalen-2-amine is CC12C=CC=CC1=CC=C(N)C2F.
What is the InChIKey of 1-fluoro-8a-methyl-1H-naphthalen-2-amine?
The InChIKey is OTPJIJMPQFCUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-11-7-3-2-4-8(11)5-6-9(13)10(11)12/h2-7,10H,13H2,1H3.
What are the key properties of 1-fluoro-8a-methyl-1H-naphthalen-2-amine?
1-fluoro-8a-methyl-1H-naphthalen-2-amine has a molecular weight of 177.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8a-methyl-1H-naphthalen-2-amine is sourced from PubChem (CID 146232934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).