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

C18H22F2N2O — CID 120872284

IUPACN'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ccccc1OC(F)F
InChIInChI=1S/C18H22F2N2O/c19-18(20)23-17-9-5-4-8-16(17)14-22(13-11-21)12-10-15-6-2-1-3-7-15/h1-9,18H,10-14,21H2
InChIKeyMNWSNNLTQPEAHT-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.29
Rot. Bonds9

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

N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120872284) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120872284
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC NameN'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ccccc1OC(F)F
InChIInChI=1S/C18H22F2N2O/c19-18(20)23-17-9-5-4-8-16(17)14-22(13-11-21)12-10-15-6-2-1-3-7-15/h1-9,18H,10-14,21H2
InChIKeyMNWSNNLTQPEAHT-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
N'-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912637
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
N'-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912594
N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895699
2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440320
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
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'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120872284) is N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1ccccc1OC(F)F.
What is the InChIKey of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is MNWSNNLTQPEAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c19-18(20)23-17-9-5-4-8-16(17)14-22(13-11-21)12-10-15-6-2-1-3-7-15/h1-9,18H,10-14,21H2.
What are the key properties of N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 320.38 g/mol, XLogP of 3.29, 9 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'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120872284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).