1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine

C14H21FN2S — CID 55020193

IUPAC1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
SMILESCCC(N)C(c1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H21FN2S/c1-2-13(16)14(17-6-8-18-9-7-17)11-4-3-5-12(15)10-11/h3-5,10,13-14H,2,6-9,16H2,1H3
InChIKeyUOAMDUZREPFLRQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine

1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine (PubChem CID 55020193) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
PubChem CID55020193
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
SMILESCCC(N)C(c1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H21FN2S/c1-2-13(16)14(17-6-8-18-9-7-17)11-4-3-5-12(15)10-11/h3-5,10,13-14H,2,6-9,16H2,1H3
InChIKeyUOAMDUZREPFLRQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
1-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537081
4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one
CID 55020579
1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55015329
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 55020060
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020486
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 62993250
1-(3-bromophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55154267

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine (CID 55020193) is 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine is CCC(N)C(c1cccc(F)c1)N1CCSCC1.
What is the InChIKey of 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
The InChIKey is UOAMDUZREPFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-2-13(16)14(17-6-8-18-9-7-17)11-4-3-5-12(15)10-11/h3-5,10,13-14H,2,6-9,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine?
1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine is sourced from PubChem (CID 55020193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).