1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine

C11H16F2N2O — CID 62066384

IUPAC1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccccc1OC(F)F
InChIInChI=1S/C11H16F2N2O/c1-2-15-9(7-14)8-5-3-4-6-10(8)16-11(12)13/h3-6,9,11,15H,2,7,14H2,1H3
InChIKeyCOEMELRGEWEPCY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.90
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine

1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine (PubChem CID 62066384) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
PubChem CID62066384
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccccc1OC(F)F
InChIInChI=1S/C11H16F2N2O/c1-2-15-9(7-14)8-5-3-4-6-10(8)16-11(12)13/h3-6,9,11,15H,2,7,14H2,1H3
InChIKeyCOEMELRGEWEPCY-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697102
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65381967
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
1-[2-(difluoromethoxy)phenyl]hexylhydrazine
CID 105294561
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine (CID 62066384) is 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine is CCNC(CN)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
The InChIKey is COEMELRGEWEPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-2-15-9(7-14)8-5-3-4-6-10(8)16-11(12)13/h3-6,9,11,15H,2,7,14H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine has a molecular weight of 230.26 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 62066384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).