N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine

C17H15ClF3N3O — CID 134357306

IUPACN-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine
SMILESCNCc1c[nH]c2cc(Nc3ccc(OC(F)(F)F)cc3Cl)ccc12
InChIInChI=1S/C17H15ClF3N3O/c1-22-8-10-9-23-16-6-11(2-4-13(10)16)24-15-5-3-12(7-14(15)18)25-17(19,20)21/h2-7,9,22-24H,8H2,1H3
InChIKeyKCYMVFKXQJJGQR-UHFFFAOYSA-N
MW369.77 g/mol
LogP5.18
Rot. Bonds5

About N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine

N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine (PubChem CID 134357306) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine
PubChem CID134357306
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC NameN-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine
SMILESCNCc1c[nH]c2cc(Nc3ccc(OC(F)(F)F)cc3Cl)ccc12
InChIInChI=1S/C17H15ClF3N3O/c1-22-8-10-9-23-16-6-11(2-4-13(10)16)24-15-5-3-12(7-14(15)18)25-17(19,20)21/h2-7,9,22-24H,8H2,1H3
InChIKeyKCYMVFKXQJJGQR-UHFFFAOYSA-N
XLogP5.18
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.77
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylindol-6-amine
CID 122449429
3-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)-1H-indol-6-amine
CID 134357602
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
CID 34176010
3-(methylaminomethyl)-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-indol-6-amine;pyridine-3-thiol
CID 144821362
6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide
CID 134357380
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
CID 144821489
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
CID 144821388
1-[6-(3-chlorophenyl)-1H-indol-3-yl]-N-methylmethanamine
CID 134357369
1-[2-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 172653781
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
N-(4-bromo-2-ethylphenyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
CID 144821354

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine (CID 134357306) is N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine is CNCc1c[nH]c2cc(Nc3ccc(OC(F)(F)F)cc3Cl)ccc12.
What is the InChIKey of N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine?
The InChIKey is KCYMVFKXQJJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c1-22-8-10-9-23-16-6-11(2-4-13(10)16)24-15-5-3-12(7-14(15)18)25-17(19,20)21/h2-7,9,22-24H,8H2,1H3.
What are the key properties of N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine?
N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine has a molecular weight of 369.77 g/mol, XLogP of 5.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine is sourced from PubChem (CID 134357306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).