1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C14H16F2N2OS — CID 65381967

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2OS/c15-14(16)19-13-6-2-1-5-11(13)12(8-17)18-9-10-4-3-7-20-10/h1-7,12,14,18H,8-9,17H2
InChIKeyFBOUGOOZVUNJAK-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.14
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65381967) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID65381967
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2OS/c15-14(16)19-13-6-2-1-5-11(13)12(8-17)18-9-10-4-3-7-20-10/h1-7,12,14,18H,8-9,17H2
InChIKeyFBOUGOOZVUNJAK-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204729
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-(2,5-difluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380159
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697102
1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380356
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-(4-bromo-3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81437460
1-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81146340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 65381967) is 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCC(NCc1cccs1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is FBOUGOOZVUNJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c15-14(16)19-13-6-2-1-5-11(13)12(8-17)18-9-10-4-3-7-20-10/h1-7,12,14,18H,8-9,17H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 298.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65381967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).