9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine

C19H14F3N3 — CID 102259553

IUPAC9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine
SMILESNc1cc2c3ccccc3n(Cc3ccc(C(F)(F)F)cc3)c2cn1
InChIInChI=1S/C19H14F3N3/c20-19(21,22)13-7-5-12(6-8-13)11-25-16-4-2-1-3-14(16)15-9-18(23)24-10-17(15)25/h1-10H,11H2,(H2,23,24)
InChIKeyMDKUTHUKYWMUNZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.84
Rot. Bonds2

About 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine

9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine (PubChem CID 102259553) has the molecular formula C19H14F3N3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine
PubChem CID102259553
Molecular FormulaC19H14F3N3
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine
SMILESNc1cc2c3ccccc3n(Cc3ccc(C(F)(F)F)cc3)c2cn1
InChIInChI=1S/C19H14F3N3/c20-19(21,22)13-7-5-12(6-8-13)11-25-16-4-2-1-3-14(16)15-9-18(23)24-10-17(15)25/h1-10H,11H2,(H2,23,24)
InChIKeyMDKUTHUKYWMUNZ-UHFFFAOYSA-N
XLogP4.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
1-[(4-aminophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one;hydrochloride
CID 171925994
6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one
CID 175843934
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
CID 3013459
azane;1-[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-2-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]heptan-2-amine
CID 175008176
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467
2-[1-[(4-tert-butylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid
CID 150721720
butyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 23112865
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine?
The IUPAC name of 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine (CID 102259553) is 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine is Nc1cc2c3ccccc3n(Cc3ccc(C(F)(F)F)cc3)c2cn1.
What is the InChIKey of 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine?
The InChIKey is MDKUTHUKYWMUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3/c20-19(21,22)13-7-5-12(6-8-13)11-25-16-4-2-1-3-14(16)15-9-18(23)24-10-17(15)25/h1-10H,11H2,(H2,23,24).
What are the key properties of 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine?
9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine has a molecular weight of 341.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 102259553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).