3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol

C14H20F3NOS — CID 115674934

IUPAC3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol
SMILESCCN(CCCO)CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NOS/c1-2-18(7-4-9-19)8-10-20-13-6-3-5-12(11-13)14(15,16)17/h3,5-6,11,19H,2,4,7-10H2,1H3
InChIKeyOEFJTMSDDMZBGS-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.50
Rot. Bonds8

About 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol

3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol (PubChem CID 115674934) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol
PubChem CID115674934
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol
SMILESCCN(CCCO)CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NOS/c1-2-18(7-4-9-19)8-10-20-13-6-3-5-12(11-13)14(15,16)17/h3,5-6,11,19H,2,4,7-10H2,1H3
InChIKeyOEFJTMSDDMZBGS-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]acetic acid
CID 61011878
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
CID 43417001
1-(4-bromobutylsulfanyl)-3-(trifluoromethyl)benzene
CID 43624662
3-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 60987003
2-methyl-2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 62822309
2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 62638705
1-(9-bromononylsulfanyl)-3-(trifluoromethyl)benzene
CID 105343453
3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]aniline
CID 79128230
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
CID 170424534
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
CID 116790403
3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 2817407
methyl 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoate
CID 43378316

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol (CID 115674934) is 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol is CCN(CCCO)CCSc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol?
The InChIKey is OEFJTMSDDMZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-2-18(7-4-9-19)8-10-20-13-6-3-5-12(11-13)14(15,16)17/h3,5-6,11,19H,2,4,7-10H2,1H3.
What are the key properties of 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol?
3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol has a molecular weight of 307.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol is sourced from PubChem (CID 115674934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).