N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

C17H16F6N2O2 — CID 166838574

IUPACN'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)C(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F6N2O2/c1-25-15(11-4-8-13(9-5-11)27-17(21,22)23)14(24)10-2-6-12(7-3-10)26-16(18,19)20/h2-9,14-15,25H,24H2,1H3
InChIKeyQCYRKRDIGWDNNI-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.44
Rot. Bonds6

About N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 166838574) has the molecular formula C17H16F6N2O2 and a molecular weight of 394.32 g/mol. Its IUPAC name is N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID166838574
Molecular FormulaC17H16F6N2O2
Molecular Weight394.32 g/mol
Exact Mass394.11
IUPAC NameN'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)C(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F6N2O2/c1-25-15(11-4-8-13(9-5-11)27-17(21,22)23)14(24)10-2-6-12(7-3-10)26-16(18,19)20/h2-9,14-15,25H,24H2,1H3
InChIKeyQCYRKRDIGWDNNI-UHFFFAOYSA-N
XLogP4.44
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
CID 79298066
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 62718138
ethyl (3R)-3-amino-2-fluoro-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171242242
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 166838574) is N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is CNC(c1ccc(OC(F)(F)F)cc1)C(N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is QCYRKRDIGWDNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2O2/c1-25-15(11-4-8-13(9-5-11)27-17(21,22)23)14(24)10-2-6-12(7-3-10)26-16(18,19)20/h2-9,14-15,25H,24H2,1H3.
What are the key properties of N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 394.32 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 166838574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).