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

C14H15F2NOS — CID 43204729

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1ccccc1OC(F)F
InChIInChI=1S/C14H15F2NOS/c1-10(17-9-11-5-4-8-19-11)12-6-2-3-7-13(12)18-14(15)16/h2-8,10,14,17H,9H2,1H3
InChIKeyRTNGJYBCEDTMQX-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.20
Rot. Bonds6

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

1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 43204729) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID43204729
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1ccccc1OC(F)F
InChIInChI=1S/C14H15F2NOS/c1-10(17-9-11-5-4-8-19-11)12-6-2-3-7-13(12)18-14(15)16/h2-8,10,14,17H,9H2,1H3
InChIKeyRTNGJYBCEDTMQX-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65381967
1-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777482
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
N-[(6-bromo-2-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115938017
N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 43106256
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43106895
N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 43204729) is 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine is CC(NCc1cccs1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is RTNGJYBCEDTMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-10(17-9-11-5-4-8-19-11)12-6-2-3-7-13(12)18-14(15)16/h2-8,10,14,17H,9H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 283.34 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 43204729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).