N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine

C14H17F3N2 — CID 117194709

IUPACN-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine
SMILESCNCc1cn(C(C)C)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C14H17F3N2/c1-9(2)19-8-10(7-18-3)13-11(14(15,16)17)5-4-6-12(13)19/h4-6,8-9,18H,7H2,1-3H3
InChIKeyULDLKXWBYLBQRZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.96
Rot. Bonds3

About N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine

N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine (PubChem CID 117194709) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine
PubChem CID117194709
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC NameN-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine
SMILESCNCc1cn(C(C)C)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C14H17F3N2/c1-9(2)19-8-10(7-18-3)13-11(14(15,16)17)5-4-6-12(13)19/h4-6,8-9,18H,7H2,1-3H3
InChIKeyULDLKXWBYLBQRZ-UHFFFAOYSA-N
XLogP3.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine (CID 117194709) is N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine is CNCc1cn(C(C)C)c2cccc(C(F)(F)F)c12.
What is the InChIKey of N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine?
The InChIKey is ULDLKXWBYLBQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-9(2)19-8-10(7-18-3)13-11(14(15,16)17)5-4-6-12(13)19/h4-6,8-9,18H,7H2,1-3H3.
What are the key properties of N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine?
N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine has a molecular weight of 270.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine is sourced from PubChem (CID 117194709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).