N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine

C19H24FNS — CID 44211155

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine
SMILESCN(CCCC1=CC=CC=C1)CCCSC2=CC=C(C=C2)F
InChIInChI=1S/C19H24FNS/c1-21(14-5-9-17-7-3-2-4-8-17)15-6-16-22-19-12-10-18(20)11-13-19/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3
InChIKeyPCUXRBSAUDWLKI-UHFFFAOYSA-N
MW317.50 g/mol
LogP5.20
Rot. Bonds9

About N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine

N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine (PubChem CID 44211155) has the molecular formula C19H24FNS and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine
PubChem CID44211155
Molecular FormulaC19H24FNS
Molecular Weight317.50 g/mol
Exact Mass317.16
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine
SMILESCN(CCCC1=CC=CC=C1)CCCSC2=CC=C(C=C2)F
InChIInChI=1S/C19H24FNS/c1-21(14-5-9-17-7-3-2-4-8-17)15-6-16-22-19-12-10-18(20)11-13-19/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3
InChIKeyPCUXRBSAUDWLKI-UHFFFAOYSA-N
XLogP5.20
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity273

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Dothiepin, Z-
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1-(2,4-Difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine
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4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
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2-(Biphenyl-2-ylthio)-N,N-dimethylethanamine
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2-(Biphenyl-3-ylthio)-N,N-dimethylethanamine
CID 46233485
Ethanamine, 2-[(diphenylmethyl)thio]-N,N-dimethyl-
CID 3028320
1-[2-(4-Benzyl-phenylsulfanyl)-ethyl]-pyrrolidine
CID 10709151
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine (CID 44211155) is N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine is CN(CCCC1=CC=CC=C1)CCCSC2=CC=C(C=C2)F.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is PCUXRBSAUDWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNS/c1-21(14-5-9-17-7-3-2-4-8-17)15-6-16-22-19-12-10-18(20)11-13-19/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine?
N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 44211155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).