2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride

C19H25ClFNS — CID 45262841

IUPAC2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride
SMILESCc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C19H24FNS.ClH/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16;/h5-12,17H,2-4,13-14,21H2,1H3;1H
InChIKeyJVGHCIWKDHPUFL-UHFFFAOYSA-N
MW353.93 g/mol
LogP5.56
Rot. Bonds8

About 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride

2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride (PubChem CID 45262841) has the molecular formula C19H25ClFNS and a molecular weight of 353.93 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride
PubChem CID45262841
Molecular FormulaC19H25ClFNS
Molecular Weight353.93 g/mol
Exact Mass353.14
IUPAC Name2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride
SMILESCc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C19H24FNS.ClH/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16;/h5-12,17H,2-4,13-14,21H2,1H3;1H
InChIKeyJVGHCIWKDHPUFL-UHFFFAOYSA-N
XLogP5.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.93
LogP ≤ 55.56
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

(S)-2-amino-1-(4-butylthiophenyl)-propane
CID 23661626
2-Amino-1-(4-ethylthiophenyl)propane
CID 44399737
(S)-2-amino-1-(4-ethylthiophenyl)-propane
CID 44424447
(S)-2-amino-1-(4-propylthiophenyl)-propane
CID 44424448
1-Methyl-2-(4-phenylsulfanyl-phenyl)-ethylamine
CID 44613329
1-(4-Benzylsulfanyl-phenyl)-propylamine
CID 46882993
2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride
CID 13484
2-Amino-1-(4-ethylthiophenyl)butane
CID 44613455
2-(4-Isobutylsulfanyl-phenyl)-1-methyl-ethylamine
CID 44399680
N-methyl-N-(3-phenyl-3-{[4-(trifluoromethyl)phenyl]sulfanyl}propyl)amine
CID 11834825
2-Amino-1,3-di(4-methylthiophenyl)propane
CID 46907064
Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride
CID 13317

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride (CID 45262841) is 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride is Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride?
The InChIKey is JVGHCIWKDHPUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNS.ClH/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16;/h5-12,17H,2-4,13-14,21H2,1H3;1H.
What are the key properties of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride?
2-(4-fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride has a molecular weight of 353.93 g/mol, XLogP of 5.56, 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-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride is sourced from PubChem (CID 45262841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).