6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H17F2NS — CID 64647907

IUPAC6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Sc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NS/c18-12-8-9-14(19)16(10-12)21-15-7-3-5-11-4-1-2-6-13(11)17(15)20/h1-2,4,6,8-10,15,17H,3,5,7,20H2
InChIKeyKWCFNQJUYXHZSM-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.46
Rot. Bonds2

About 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 64647907) has the molecular formula C17H17F2NS and a molecular weight of 305.39 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID64647907
Molecular FormulaC17H17F2NS
Molecular Weight305.39 g/mol
Exact Mass305.10
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Sc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NS/c18-12-8-9-14(19)16(10-12)21-15-7-3-5-11-4-1-2-6-13(11)17(15)20/h1-2,4,6,8-10,15,17H,3,5,7,20H2
InChIKeyKWCFNQJUYXHZSM-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Launch Full Analysis

Related Compounds

6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
3-[(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)sulfanyl]butan-2-ol
CID 107772612
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647889
2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619553
6-(1-methylpyrazol-4-yl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64628164
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79147734
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64626125
6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403688
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one
CID 43224893
6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403373

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 64647907) is 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1Sc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is KWCFNQJUYXHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NS/c18-12-8-9-14(19)16(10-12)21-15-7-3-5-11-4-1-2-6-13(11)17(15)20/h1-2,4,6,8-10,15,17H,3,5,7,20H2.
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 305.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 64647907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).