2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine

C26H26F3N3O2 — CID 146719878

IUPAC2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine
SMILESCCC(Nc1ccc2c(c1)N=C(N(C)C)C2)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C26H26F3N3O2/c1-4-23(30-19-8-5-18-15-25(32(2)3)31-24(18)16-19)17-6-9-20(10-7-17)33-21-11-13-22(14-12-21)34-26(27,28)29/h5-14,16,23,30H,4,15H2,1-3H3
InChIKeyRERUNRYRGOOBEZ-UHFFFAOYSA-N
MW469.51 g/mol
LogP7.09
Rot. Bonds7

About 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine

2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine (PubChem CID 146719878) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine
PubChem CID146719878
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine
SMILESCCC(Nc1ccc2c(c1)N=C(N(C)C)C2)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C26H26F3N3O2/c1-4-23(30-19-8-5-18-15-25(32(2)3)31-24(18)16-19)17-6-9-20(10-7-17)33-21-11-13-22(14-12-21)34-26(27,28)29/h5-14,16,23,30H,4,15H2,1-3H3
InChIKeyRERUNRYRGOOBEZ-UHFFFAOYSA-N
XLogP7.09
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine with MolForge

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Related Compounds

(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
2-propan-2-yl-6-(trifluoromethoxy)-3H-indole
CID 157181074
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65386080
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 51966629
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 115782110
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine (CID 146719878) is 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine is CCC(Nc1ccc2c(c1)N=C(N(C)C)C2)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine?
The InChIKey is RERUNRYRGOOBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c1-4-23(30-19-8-5-18-15-25(32(2)3)31-24(18)16-19)17-6-9-20(10-7-17)33-21-11-13-22(14-12-21)34-26(27,28)29/h5-14,16,23,30H,4,15H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine?
2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine has a molecular weight of 469.51 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine is sourced from PubChem (CID 146719878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).