1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine

C13H19F2N3O2 — CID 83013582

IUPAC1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2N3O2/c14-13(15)20-12-4-2-1-3-10(12)11(9-16)17-18-5-7-19-8-6-18/h1-4,11,13,17H,5-9,16H2
InChIKeyOJYWQZCDMQMJRV-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.12
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine

1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine (PubChem CID 83013582) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
PubChem CID83013582
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2N3O2/c14-13(15)20-12-4-2-1-3-10(12)11(9-16)17-18-5-7-19-8-6-18/h1-4,11,13,17H,5-9,16H2
InChIKeyOJYWQZCDMQMJRV-UHFFFAOYSA-N
XLogP1.12
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011127
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011001
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697102
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65381967
[1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethyl]hydrazine
CID 105298760
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83011227
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
CID 43211843
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799
[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 79135068
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine (CID 83013582) is 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine is NCC(NN1CCOCC1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
The InChIKey is OJYWQZCDMQMJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c14-13(15)20-12-4-2-1-3-10(12)11(9-16)17-18-5-7-19-8-6-18/h1-4,11,13,17H,5-9,16H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine has a molecular weight of 287.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 83013582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).