N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine

C13H15F3N2O3 — CID 162587301

IUPACN,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine
SMILESCOc1ccc2c(c(CN(O)O)c(C)n2C)c1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-7-8(6-18(19)20)11-9(17(7)2)4-5-10(21-3)12(11)13(14,15)16/h4-5,19-20H,6H2,1-3H3
InChIKeyHMPKAQKSEZKHKR-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.09
Rot. Bonds3

About N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine

N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine (PubChem CID 162587301) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine
PubChem CID162587301
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine
SMILESCOc1ccc2c(c(CN(O)O)c(C)n2C)c1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-7-8(6-18(19)20)11-9(17(7)2)4-5-10(21-3)12(11)13(14,15)16/h4-5,19-20H,6H2,1-3H3
InChIKeyHMPKAQKSEZKHKR-UHFFFAOYSA-N
XLogP3.09
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine?
The IUPAC name of N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine (CID 162587301) is N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine.
What is the SMILES notation for N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine?
The canonical SMILES for N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine is COc1ccc2c(c(CN(O)O)c(C)n2C)c1C(F)(F)F.
What is the InChIKey of N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine?
The InChIKey is HMPKAQKSEZKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-7-8(6-18(19)20)11-9(17(7)2)4-5-10(21-3)12(11)13(14,15)16/h4-5,19-20H,6H2,1-3H3.
What are the key properties of N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine?
N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine has a molecular weight of 304.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine is sourced from PubChem (CID 162587301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).