ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine

C18H19F3N2 — CID 144945360

IUPACethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine
SMILESCC.Cn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(N)ccc21
InChIInChI=1S/C16H13F3N2.C2H6/c1-21-14-7-6-13(20)8-11(14)9-15(21)10-2-4-12(5-3-10)16(17,18)19;1-2/h2-9H,20H2,1H3;1-2H3
InChIKeyNDXVPTOLWOZWEX-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.47
Rot. Bonds1

About ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine

ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine (PubChem CID 144945360) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine.

Molecular Properties

Compound Nameethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine
PubChem CID144945360
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Nameethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine
SMILESCC.Cn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(N)ccc21
InChIInChI=1S/C16H13F3N2.C2H6/c1-21-14-7-6-13(20)8-11(14)9-15(21)10-2-4-12(5-3-10)16(17,18)19;1-2/h2-9H,20H2,1H3;1-2H3
InChIKeyNDXVPTOLWOZWEX-UHFFFAOYSA-N
XLogP5.47
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indol-5-amine
CID 144945286
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 130182854
molecular iodine;4-(trifluoromethyl)aniline
CID 158841642
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
CID 62506357
4-(1,2-dimethylindol-5-yl)aniline
CID 116996411
6-amino-2-[4-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 155234088
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
1-methyl-2-pentylindol-5-amine
CID 150191392
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
The IUPAC name of ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine (CID 144945360) is ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine.
What is the SMILES notation for ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
The canonical SMILES for ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine is CC.Cn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(N)ccc21.
What is the InChIKey of ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
The InChIKey is NDXVPTOLWOZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2.C2H6/c1-21-14-7-6-13(20)8-11(14)9-15(21)10-2-4-12(5-3-10)16(17,18)19;1-2/h2-9H,20H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine?
ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine has a molecular weight of 320.36 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine is sourced from PubChem (CID 144945360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).