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

C13H20F2N2O2 — CID 102697102

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNC(CN)c1ccccc1OC(F)F
InChIInChI=1S/C13H20F2N2O2/c1-9(18-2)8-17-11(7-16)10-5-3-4-6-12(10)19-13(14)15/h3-6,9,11,13,17H,7-8,16H2,1-2H3
InChIKeyNRNFGTGODIDOKI-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.91
Rot. Bonds8

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

1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine (PubChem CID 102697102) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
PubChem CID102697102
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNC(CN)c1ccccc1OC(F)F
InChIInChI=1S/C13H20F2N2O2/c1-9(18-2)8-17-11(7-16)10-5-3-4-6-12(10)19-13(14)15/h3-6,9,11,13,17H,7-8,16H2,1-2H3
InChIKeyNRNFGTGODIDOKI-UHFFFAOYSA-N
XLogP1.91
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65381967
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 114075612
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
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-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
CID 115834429
methyl 4-amino-3-[2-(difluoromethoxy)phenyl]butanoate
CID 66098301
1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697240
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine (CID 102697102) is 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine is COC(C)CNC(CN)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine?
The InChIKey is NRNFGTGODIDOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-9(18-2)8-17-11(7-16)10-5-3-4-6-12(10)19-13(14)15/h3-6,9,11,13,17H,7-8,16H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine has a molecular weight of 274.31 g/mol, XLogP of 1.91, 8 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-(2-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 102697102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).