N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

C19H24F2N2O2 — CID 78823902

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOc1cc(CNC(CN(C)C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H24F2N2O2/c1-23(2)13-16(15-7-5-4-6-8-15)22-12-14-9-10-17(25-19(20)21)18(11-14)24-3/h4-11,16,19,22H,12-13H2,1-3H3
InChIKeyCYQPENQCHOESNL-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.69
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 78823902) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID78823902
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOc1cc(CNC(CN(C)C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H24F2N2O2/c1-23(2)13-16(15-7-5-4-6-8-15)22-12-14-9-10-17(25-19(20)21)18(11-14)24-3/h4-11,16,19,22H,12-13H2,1-3H3
InChIKeyCYQPENQCHOESNL-UHFFFAOYSA-N
XLogP3.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824238
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 47087770
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823898
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824249
1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
CID 78880262
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 78823902) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is COc1cc(CNC(CN(C)C)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is CYQPENQCHOESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-23(2)13-16(15-7-5-4-6-8-15)22-12-14-9-10-17(25-19(20)21)18(11-14)24-3/h4-11,16,19,22H,12-13H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 350.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 78823902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).