1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine

C15H17F2NOS — CID 43201404

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCC(NCCc1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2NOS/c1-11(18-9-8-14-3-2-10-20-14)12-4-6-13(7-5-12)19-15(16)17/h2-7,10-11,15,18H,8-9H2,1H3
InChIKeyTUXAMGYNJCAIDO-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.24
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 43201404) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID43201404
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCC(NCCc1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2NOS/c1-11(18-9-8-14-3-2-10-20-14)12-4-6-13(7-5-12)19-15(16)17/h2-7,10-11,15,18H,8-9H2,1H3
InChIKeyTUXAMGYNJCAIDO-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
1-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104693888
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
CID 55151573
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
N-[1-[4-(difluoromethoxy)phenyl]ethyl]pent-3-yn-1-amine
CID 104758071
1-[[4-(difluoromethoxy)phenyl]methyl]-1,2-dimethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111288369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine (CID 43201404) is 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine is CC(NCCc1cccs1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is TUXAMGYNJCAIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-11(18-9-8-14-3-2-10-20-14)12-4-6-13(7-5-12)19-15(16)17/h2-7,10-11,15,18H,8-9H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 297.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 43201404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).