N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C18H18F6N2 — CID 171035691

IUPACN',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(c1cccc(C(F)(F)F)c1)C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F6N2/c1-26(2)16(12-6-4-8-14(10-12)18(22,23)24)15(25)11-5-3-7-13(9-11)17(19,20)21/h3-10,15-16H,25H2,1-2H3
InChIKeyZGHLOCPPRMYOJW-UHFFFAOYSA-N
MW376.34 g/mol
LogP5.03
Rot. Bonds4

About N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 171035691) has the molecular formula C18H18F6N2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID171035691
Molecular FormulaC18H18F6N2
Molecular Weight376.34 g/mol
Exact Mass376.14
IUPAC NameN',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(c1cccc(C(F)(F)F)c1)C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F6N2/c1-26(2)16(12-6-4-8-14(10-12)18(22,23)24)15(25)11-5-3-7-13(9-11)17(19,20)21/h3-10,15-16H,25H2,1-2H3
InChIKeyZGHLOCPPRMYOJW-UHFFFAOYSA-N
XLogP5.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 43802593
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 171035691) is N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(C)C(c1cccc(C(F)(F)F)c1)C(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is ZGHLOCPPRMYOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2/c1-26(2)16(12-6-4-8-14(10-12)18(22,23)24)15(25)11-5-3-7-13(9-11)17(19,20)21/h3-10,15-16H,25H2,1-2H3.
What are the key properties of N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 376.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 171035691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).