2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride

C22H25ClFNS — CID 45262683

IUPAC2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride
SMILESCl.NCC(CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNS.ClH/c23-21-11-8-18(9-12-21)20(16-24)7-3-4-14-25-22-13-10-17-5-1-2-6-19(17)15-22;/h1-2,5-6,8-13,15,20H,3-4,7,14,16,24H2;1H
InChIKeyKAVBHBQTRZADBZ-UHFFFAOYSA-N
MW389.97 g/mol
LogP6.41
Rot. Bonds8

About 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride

2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride (PubChem CID 45262683) has the molecular formula C22H25ClFNS and a molecular weight of 389.97 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride
PubChem CID45262683
Molecular FormulaC22H25ClFNS
Molecular Weight389.97 g/mol
Exact Mass389.14
IUPAC Name2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride
SMILESCl.NCC(CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNS.ClH/c23-21-11-8-18(9-12-21)20(16-24)7-3-4-14-25-22-13-10-17-5-1-2-6-19(17)15-22;/h1-2,5-6,8-13,15,20H,3-4,7,14,16,24H2;1H
InChIKeyKAVBHBQTRZADBZ-UHFFFAOYSA-N
XLogP6.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-methanesulfonamide
CID 11639865
[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889893
[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889915
[(1R)-6-cyclohexylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889916
2-(4-Fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride
CID 45262841
2-(4-Fluorophenyl)-7-(4-methylphenyl)sulfanylheptan-1-amine;hydrochloride
CID 45262872
6-(4-Tert-butylphenyl)sulfanyl-2-(4-fluorophenyl)hexan-1-amine;hydrochloride
CID 45262874
N-methyl-4-naphthalen-2-ylsulfanyl-N-(2-phenylethyl)butan-1-amine
CID 44211157
2-(4-Fluorophenyl)-5-naphthalen-2-ylsulfanylpentan-1-amine;hydrochloride
CID 45262851
2-(4-Fluorophenyl)-5-(4-methylphenyl)sulfanylpentan-1-amine;hydrochloride
CID 45265536
2-[6-(2-Fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 11609675
1-(4-Fluorophenyl)-4-naphthalen-2-ylsulfanylbutan-1-amine
CID 15181352

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride (CID 45262683) is 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride is Cl.NCC(CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride?
The InChIKey is KAVBHBQTRZADBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNS.ClH/c23-21-11-8-18(9-12-21)20(16-24)7-3-4-14-25-22-13-10-17-5-1-2-6-19(17)15-22;/h1-2,5-6,8-13,15,20H,3-4,7,14,16,24H2;1H.
What are the key properties of 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride?
2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-naphthalen-2-ylsulfanylhexan-1-amine;hydrochloride is sourced from PubChem (CID 45262683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).