1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine

C14H21FN2OS — CID 77220594

IUPAC1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
SMILESNC(CCN1CCOCC1)CSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c15-12-1-3-14(4-2-12)19-11-13(16)5-6-17-7-9-18-10-8-17/h1-4,13H,5-11,16H2
InChIKeyBEIFXAWEEBBJIA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.97
Rot. Bonds6

About 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine

1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine (PubChem CID 77220594) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
PubChem CID77220594
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
SMILESNC(CCN1CCOCC1)CSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c15-12-1-3-14(4-2-12)19-11-13(16)5-6-17-7-9-18-10-8-17/h1-4,13H,5-11,16H2
InChIKeyBEIFXAWEEBBJIA-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine (CID 77220594) is 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine is NC(CCN1CCOCC1)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
The InChIKey is BEIFXAWEEBBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c15-12-1-3-14(4-2-12)19-11-13(16)5-6-17-7-9-18-10-8-17/h1-4,13H,5-11,16H2.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine?
1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 77220594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).