N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine

C20H26F3N3O — CID 143169889

IUPACN'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(CN)c1)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H26F3N3O/c1-25(2)10-11-26(14-17-7-5-6-16(12-17)13-24)15-18-8-3-4-9-19(18)27-20(21,22)23/h3-9,12H,10-11,13-15,24H2,1-2H3
InChIKeyHUVASEILBHZSPL-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.61
Rot. Bonds9

About N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine

N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine (PubChem CID 143169889) has the molecular formula C20H26F3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
PubChem CID143169889
Molecular FormulaC20H26F3N3O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(CN)c1)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H26F3N3O/c1-25(2)10-11-26(14-17-7-5-6-16(12-17)13-24)15-18-8-3-4-9-19(18)27-20(21,22)23/h3-9,12H,10-11,13-15,24H2,1-2H3
InChIKeyHUVASEILBHZSPL-UHFFFAOYSA-N
XLogP3.61
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 143170343
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827104
N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79662487
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol
CID 143170372

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine (CID 143169889) is N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine is CN(C)CCN(Cc1cccc(CN)c1)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is HUVASEILBHZSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O/c1-25(2)10-11-26(14-17-7-5-6-16(12-17)13-24)15-18-8-3-4-9-19(18)27-20(21,22)23/h3-9,12H,10-11,13-15,24H2,1-2H3.
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 381.44 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 143169889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).