N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine

C14H22FNOS — CID 79575022

IUPACN-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)CSc1ccccc1F
InChIInChI=1S/C14H22FNOS/c1-4-16-12(9-17-11(2)3)10-18-14-8-6-5-7-13(14)15/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyFBHWJUWDKBHPNT-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.32
Rot. Bonds8

About N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine (PubChem CID 79575022) has the molecular formula C14H22FNOS and a molecular weight of 271.40 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
PubChem CID79575022
Molecular FormulaC14H22FNOS
Molecular Weight271.40 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)CSc1ccccc1F
InChIInChI=1S/C14H22FNOS/c1-4-16-12(9-17-11(2)3)10-18-14-8-6-5-7-13(14)15/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyFBHWJUWDKBHPNT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66051551
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
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N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66053104
1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574564
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine
CID 105236110
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236088
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N-ethyl-3-(2-fluorophenyl)sulfanylbutan-2-amine
CID 64621445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine (CID 79575022) is N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine is CCNC(COC(C)C)CSc1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is FBHWJUWDKBHPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNOS/c1-4-16-12(9-17-11(2)3)10-18-14-8-6-5-7-13(14)15/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 79575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).