1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

C15H18F2N2OS — CID 43725531

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H18F2N2OS/c1-9(18-10(2)13-8-21-11(3)19-13)12-6-4-5-7-14(12)20-15(16)17/h4-10,15,18H,1-3H3
InChIKeyOTMOITDZBAOVHM-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.46
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43725531) has the molecular formula C15H18F2N2OS and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43725531
Molecular FormulaC15H18F2N2OS
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H18F2N2OS/c1-9(18-10(2)13-8-21-11(3)19-13)12-6-4-5-7-14(12)20-15(16)17/h4-10,15,18H,1-3H3
InChIKeyOTMOITDZBAOVHM-UHFFFAOYSA-N
XLogP4.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43725531) is 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)c2ccccc2OC(F)F)cs1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is OTMOITDZBAOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-9(18-10(2)13-8-21-11(3)19-13)12-6-4-5-7-14(12)20-15(16)17/h4-10,15,18H,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 312.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43725531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).