2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18FNOS — CID 115420348

IUPAC2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(S(=O)c2cccc(F)c2)C(N)c2ccccc21
InChIInChI=1S/C17H18FNOS/c1-11-9-16(17(19)15-8-3-2-7-14(11)15)21(20)13-6-4-5-12(18)10-13/h2-8,10-11,16-17H,9,19H2,1H3
InChIKeyWKDFVXNNQLHXAI-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.51
Rot. Bonds2

About 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420348) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420348
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(S(=O)c2cccc(F)c2)C(N)c2ccccc21
InChIInChI=1S/C17H18FNOS/c1-11-9-16(17(19)15-8-3-2-7-14(11)15)21(20)13-6-4-5-12(18)10-13/h2-8,10-11,16-17H,9,19H2,1H3
InChIKeyWKDFVXNNQLHXAI-UHFFFAOYSA-N
XLogP3.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420348) is 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(S(=O)c2cccc(F)c2)C(N)c2ccccc21.
What is the InChIKey of 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WKDFVXNNQLHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-11-9-16(17(19)15-8-3-2-7-14(11)15)21(20)13-6-4-5-12(18)10-13/h2-8,10-11,16-17H,9,19H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 303.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).