9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine

C19H17F3N2 — CID 90815150

IUPAC9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESNC1CCCc2c1n(-c1ccccc1)c1ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H17F3N2/c20-19(21,22)12-9-10-17-15(11-12)14-7-4-8-16(23)18(14)24(17)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,23H2
InChIKeyDOUMOMYDPPFJCZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.99
Rot. Bonds1

About 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine

9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine (PubChem CID 90815150) has the molecular formula C19H17F3N2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine
PubChem CID90815150
Molecular FormulaC19H17F3N2
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESNC1CCCc2c1n(-c1ccccc1)c1ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H17F3N2/c20-19(21,22)12-9-10-17-15(11-12)14-7-4-8-16(23)18(14)24(17)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,23H2
InChIKeyDOUMOMYDPPFJCZ-UHFFFAOYSA-N
XLogP4.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine
CID 90754565
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
(1R)-5-fluoro-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131418002
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84622862
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
cyclopropyl 4-amino-2-oxo-1-phenyl-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207141
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592484
7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541502
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 59307060

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine?
The IUPAC name of 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine (CID 90815150) is 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine.
What is the SMILES notation for 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine?
The canonical SMILES for 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine is NC1CCCc2c1n(-c1ccccc1)c1ccc(C(F)(F)F)cc21.
What is the InChIKey of 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine?
The InChIKey is DOUMOMYDPPFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2/c20-19(21,22)12-9-10-17-15(11-12)14-7-4-8-16(23)18(14)24(17)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,23H2.
What are the key properties of 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine?
9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine has a molecular weight of 330.35 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine is sourced from PubChem (CID 90815150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).