2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol

C14H20FNOS — CID 64807016

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
SMILESCCNC(CO)(CSc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H20FNOS/c1-2-16-14(9-17,11-3-4-11)10-18-13-7-5-12(15)6-8-13/h5-8,11,16-17H,2-4,9-10H2,1H3
InChIKeyMDXIAVNXNYADOC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.67
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol (PubChem CID 64807016) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
PubChem CID64807016
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
SMILESCCNC(CO)(CSc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H20FNOS/c1-2-16-14(9-17,11-3-4-11)10-18-13-7-5-12(15)6-8-13/h5-8,11,16-17H,2-4,9-10H2,1H3
InChIKeyMDXIAVNXNYADOC-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol (CID 64807016) is 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol is CCNC(CO)(CSc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
The InChIKey is MDXIAVNXNYADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-2-16-14(9-17,11-3-4-11)10-18-13-7-5-12(15)6-8-13/h5-8,11,16-17H,2-4,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 64807016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).