[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine

C16H24N2O — CID 117173654

IUPAC[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
SMILESCC(C)OCc1cc2c(CN)cccc2n1C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)18-14(10-19-12(3)4)8-15-13(9-17)6-5-7-16(15)18/h5-8,11-12H,9-10,17H2,1-4H3
InChIKeyCAVMNJQOAIHMLA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.61
Rot. Bonds5

About [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine

[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine (PubChem CID 117173654) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine.

Molecular Properties

Compound Name[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
PubChem CID117173654
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
SMILESCC(C)OCc1cc2c(CN)cccc2n1C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)18-14(10-19-12(3)4)8-15-13(9-17)6-5-7-16(15)18/h5-8,11-12H,9-10,17H2,1-4H3
InChIKeyCAVMNJQOAIHMLA-UHFFFAOYSA-N
XLogP3.61
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117174060
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
4-[(4-amino-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117173954
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
O-[(1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194314
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine?
The IUPAC name of [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine (CID 117173654) is [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine.
What is the SMILES notation for [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine?
The canonical SMILES for [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine is CC(C)OCc1cc2c(CN)cccc2n1C(C)C.
What is the InChIKey of [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine?
The InChIKey is CAVMNJQOAIHMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)18-14(10-19-12(3)4)8-15-13(9-17)6-5-7-16(15)18/h5-8,11-12H,9-10,17H2,1-4H3.
What are the key properties of [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine?
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine is sourced from PubChem (CID 117173654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).