3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine

C11H15F2NOS — CID 63072366

IUPAC3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-2-15-9(6-14)7-16-11-4-3-8(12)5-10(11)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyYWEMNWXOBGQGQR-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.42
Rot. Bonds6

About 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine

3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine (PubChem CID 63072366) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine
PubChem CID63072366
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-2-15-9(6-14)7-16-11-4-3-8(12)5-10(11)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyYWEMNWXOBGQGQR-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2-phenylthio-2-propanol
CID 113732
1-Amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 22437795
(2S)-1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 28409457
3-(2,5-Difluorophenyl)sulfanylpropan-1-amine
CID 43518914
2-Amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
CID 59809196
(2R)-2-amino-3-[(2-fluorophenyl)sulfanyl]propan-1-ol
CID 67266716
4-(2-Ethoxypropylsulfanyl)-1,2-difluorobenzene
CID 121427411
(4-Fluoro-6-phenylsulfanyloxan-2-yl)methanamine
CID 137531288
(2S)-1-amino-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 28281087
1-(3,4-Difluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43167468
3-(2,4-Difluorophenyl)sulfanylpropan-1-amine
CID 43167547
1-(2,4-Difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43167567

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine (CID 63072366) is 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine is CCOC(CN)CSc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The InChIKey is YWEMNWXOBGQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-15-9(6-14)7-16-11-4-3-8(12)5-10(11)13/h3-5,9H,2,6-7,14H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine?
3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 63072366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).