N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine

C11H16F2N2O — CID 62681478

IUPACN'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccccc1OC(F)F
InChIInChI=1S/C11H16F2N2O/c1-15(7-6-14)8-9-4-2-3-5-10(9)16-11(12)13/h2-5,11H,6-8,14H2,1H3
InChIKeyDCKLYXSPOGIMEU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.68
Rot. Bonds6

About N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine

N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 62681478) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID62681478
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC NameN'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccccc1OC(F)F
InChIInChI=1S/C11H16F2N2O/c1-15(7-6-14)8-9-4-2-3-5-10(9)16-11(12)13/h2-5,11H,6-8,14H2,1H3
InChIKeyDCKLYXSPOGIMEU-UHFFFAOYSA-N
XLogP1.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N'-[(2-cyclohexyloxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 177374490
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
CID 71996836
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440320
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine (CID 62681478) is N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1ccccc1OC(F)F.
What is the InChIKey of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is DCKLYXSPOGIMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-15(7-6-14)8-9-4-2-3-5-10(9)16-11(12)13/h2-5,11H,6-8,14H2,1H3.
What are the key properties of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine?
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 230.26 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62681478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).