4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine

C14H22FNOS — CID 55091971

IUPAC4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine
SMILESCCOCCCCNCCSc1ccc(F)cc1
InChIInChI=1S/C14H22FNOS/c1-2-17-11-4-3-9-16-10-12-18-14-7-5-13(15)6-8-14/h5-8,16H,2-4,9-12H2,1H3
InChIKeyHQMGKBNSRQFHRH-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.32
Rot. Bonds10

About 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine

4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine (PubChem CID 55091971) has the molecular formula C14H22FNOS and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine
PubChem CID55091971
Molecular FormulaC14H22FNOS
Molecular Weight271.40 g/mol
Exact Mass271.14
IUPAC Name4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine
SMILESCCOCCCCNCCSc1ccc(F)cc1
InChIInChI=1S/C14H22FNOS/c1-2-17-11-4-3-9-16-10-12-18-14-7-5-13(15)6-8-14/h5-8,16H,2-4,9-12H2,1H3
InChIKeyHQMGKBNSRQFHRH-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035762
N-[2-(4-fluorophenyl)sulfanylethyl]propan-2-amine
CID 13655059
(2-[(4-Fluorophenyl)sulfanyl]ethyl)(methyl)amine
CID 60686925
3-(4-fluorophenyl)sulfanyl-N-methylpropan-1-amine
CID 60690983
4-[(3-Fluorophenyl)sulfanylmethyl]-4-methoxypiperidine
CID 141983680
(2S)-N-ethyl-1-(4-fluorophenyl)sulfanylpentan-2-amine
CID 142099428
4-(4-fluorophenyl)sulfinyl-N-methylbutan-1-amine
CID 142725970
N-methyl-4-phenylsulfanylbutan-1-amine
CID 1825664
3-methoxy-3-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 103033182
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-[(2-Fluorophenyl)thio]-3-(propylamino)-2-propanol
CID 43166336

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine (CID 55091971) is 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine is CCOCCCCNCCSc1ccc(F)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine?
The InChIKey is HQMGKBNSRQFHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNOS/c1-2-17-11-4-3-9-16-10-12-18-14-7-5-13(15)6-8-14/h5-8,16H,2-4,9-12H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine?
4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine is sourced from PubChem (CID 55091971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).