N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine

C13H20F2N2O2 — CID 55104178

IUPACN'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCCOc1cc(CN(C)CCN)ccc1OC(F)F
InChIInChI=1S/C13H20F2N2O2/c1-3-18-12-8-10(9-17(2)7-6-16)4-5-11(12)19-13(14)15/h4-5,8,13H,3,6-7,9,16H2,1-2H3
InChIKeyXXFKHEOFGPKJOV-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.08
Rot. Bonds8

About N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine

N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 55104178) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID55104178
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC NameN'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCCOc1cc(CN(C)CCN)ccc1OC(F)F
InChIInChI=1S/C13H20F2N2O2/c1-3-18-12-8-10(9-17(2)7-6-16)4-5-11(12)19-13(14)15/h4-5,8,13H,3,6-7,9,16H2,1-2H3
InChIKeyXXFKHEOFGPKJOV-UHFFFAOYSA-N
XLogP2.08
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55852083
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine (CID 55104178) is N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine is CCOc1cc(CN(C)CCN)ccc1OC(F)F.
What is the InChIKey of N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is XXFKHEOFGPKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-3-18-12-8-10(9-17(2)7-6-16)4-5-11(12)19-13(14)15/h4-5,8,13H,3,6-7,9,16H2,1-2H3.
What are the key properties of N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine?
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 274.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55104178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).