N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine

C14H15F2NOS — CID 43490532

IUPACN-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccc(OC(F)F)c1)c1cccs1
InChIInChI=1S/C14H15F2NOS/c1-2-17-13(12-7-4-8-19-12)10-5-3-6-11(9-10)18-14(15)16/h3-9,13-14,17H,2H2,1H3
InChIKeyMRDLZSQOOWGLFO-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.05
Rot. Bonds6

About N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine

N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine (PubChem CID 43490532) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
PubChem CID43490532
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC NameN-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccc(OC(F)F)c1)c1cccs1
InChIInChI=1S/C14H15F2NOS/c1-2-17-13(12-7-4-8-19-12)10-5-3-6-11(9-10)18-14(15)16/h3-9,13-14,17H,2H2,1H3
InChIKeyMRDLZSQOOWGLFO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 62920874
N-[(3-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methyl]ethanamine
CID 80528916
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine (CID 43490532) is N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccc(OC(F)F)c1)c1cccs1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
The InChIKey is MRDLZSQOOWGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-2-17-13(12-7-4-8-19-12)10-5-3-6-11(9-10)18-14(15)16/h3-9,13-14,17H,2H2,1H3.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43490532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).