4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol

C14H21F2NOS — CID 64820392

IUPAC4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NOS/c1-4-17-14(3,9-18)8-10(2)19-13-6-5-11(15)7-12(13)16/h5-7,10,17-18H,4,8-9H2,1-3H3
InChIKeyRJYZNMZYUZZCAU-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.20
Rot. Bonds7

About 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol

4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64820392) has the molecular formula C14H21F2NOS and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64820392
Molecular FormulaC14H21F2NOS
Molecular Weight289.39 g/mol
Exact Mass289.13
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NOS/c1-4-17-14(3,9-18)8-10(2)19-13-6-5-11(15)7-12(13)16/h5-7,10,17-18H,4,8-9H2,1-3H3
InChIKeyRJYZNMZYUZZCAU-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64709839
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64807866
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
CID 64820158
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
3-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64821726
4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 115384279
N-[2-(2,4-difluorophenyl)sulfanylpropyl]butan-2-amine
CID 55092288
4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64702656
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol (CID 64820392) is 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)Sc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is RJYZNMZYUZZCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NOS/c1-4-17-14(3,9-18)8-10(2)19-13-6-5-11(15)7-12(13)16/h5-7,10,17-18H,4,8-9H2,1-3H3.
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol?
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 289.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64820392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).