1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine

C17H17FN2S — CID 105371545

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2Cc1cc(F)ccc1C
InChIInChI=1S/C17H17FN2S/c1-11-3-4-13(18)7-12(11)10-20-6-5-15-16(20)8-14(19)9-17(15)21-2/h3-9H,10,19H2,1-2H3
InChIKeyYPNFWXYCIGUKEI-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.44
Rot. Bonds3

About 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine

1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine (PubChem CID 105371545) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine
PubChem CID105371545
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2Cc1cc(F)ccc1C
InChIInChI=1S/C17H17FN2S/c1-11-3-4-13(18)7-12(11)10-20-6-5-15-16(20)8-14(19)9-17(15)21-2/h3-9H,10,19H2,1-2H3
InChIKeyYPNFWXYCIGUKEI-UHFFFAOYSA-N
XLogP4.44
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine (CID 105371545) is 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine is CSc1cc(N)cc2c1ccn2Cc1cc(F)ccc1C.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine?
The InChIKey is YPNFWXYCIGUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-3-4-13(18)7-12(11)10-20-6-5-15-16(20)8-14(19)9-17(15)21-2/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine?
1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine has a molecular weight of 300.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 105371545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).