2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol

C16H20FNOS — CID 106507205

IUPAC2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESCCc1ccc(CC(CN)(CO)c2ccccc2F)s1
InChIInChI=1S/C16H20FNOS/c1-2-12-7-8-13(20-12)9-16(10-18,11-19)14-5-3-4-6-15(14)17/h3-8,19H,2,9-11,18H2,1H3
InChIKeySRGMFUJQHOBVCJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds6

About 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol

2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 106507205) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID106507205
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESCCc1ccc(CC(CN)(CO)c2ccccc2F)s1
InChIInChI=1S/C16H20FNOS/c1-2-12-7-8-13(20-12)9-16(10-18,11-19)14-5-3-4-6-15(14)17/h3-8,19H,2,9-11,18H2,1H3
InChIKeySRGMFUJQHOBVCJ-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol (CID 106507205) is 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol is CCc1ccc(CC(CN)(CO)c2ccccc2F)s1.
What is the InChIKey of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is SRGMFUJQHOBVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-2-12-7-8-13(20-12)9-16(10-18,11-19)14-5-3-4-6-15(14)17/h3-8,19H,2,9-11,18H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 106507205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).