N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine

C16H13F3N2 — CID 126608157

IUPACN-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C16H13F3N2/c1-20-13-6-7-14-11(8-13)9-15(21-14)10-2-4-12(5-3-10)16(17,18)19/h2-9,20-21H,1H3
InChIKeyYNBGVZGQCRNIFA-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.90
Rot. Bonds2

About N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine

N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine (PubChem CID 126608157) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
PubChem CID126608157
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC NameN-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C16H13F3N2/c1-20-13-6-7-14-11(8-13)9-15(21-14)10-2-4-12(5-3-10)16(17,18)19/h2-9,20-21H,1H3
InChIKeyYNBGVZGQCRNIFA-UHFFFAOYSA-N
XLogP4.90
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009
N,2-dimethyl-1H-indol-5-amine
CID 12537594
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 22503463
tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
CID 86048174
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine
CID 117195108
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole
CID 51037097

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine?
The IUPAC name of N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine (CID 126608157) is N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine?
The canonical SMILES for N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine is CNc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine?
The InChIKey is YNBGVZGQCRNIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-20-13-6-7-14-11(8-13)9-15(21-14)10-2-4-12(5-3-10)16(17,18)19/h2-9,20-21H,1H3.
What are the key properties of N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine?
N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine has a molecular weight of 290.29 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine is sourced from PubChem (CID 126608157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).