2-(propan-2-yloxymethyl)-1H-indol-7-amine

C12H16N2O — CID 117183754

IUPAC2-(propan-2-yloxymethyl)-1H-indol-7-amine
SMILESCC(C)OCc1cc2cccc(N)c2[nH]1
InChIInChI=1S/C12H16N2O/c1-8(2)15-7-10-6-9-4-3-5-11(13)12(9)14-10/h3-6,8,14H,7,13H2,1-2H3
InChIKeyRKCPOWANUBWPBC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.68
Rot. Bonds3

About 2-(propan-2-yloxymethyl)-1H-indol-7-amine

2-(propan-2-yloxymethyl)-1H-indol-7-amine (PubChem CID 117183754) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-1H-indol-7-amine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-1H-indol-7-amine
PubChem CID117183754
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(propan-2-yloxymethyl)-1H-indol-7-amine
SMILESCC(C)OCc1cc2cccc(N)c2[nH]1
InChIInChI=1S/C12H16N2O/c1-8(2)15-7-10-6-9-4-3-5-11(13)12(9)14-10/h3-6,8,14H,7,13H2,1-2H3
InChIKeyRKCPOWANUBWPBC-UHFFFAOYSA-N
XLogP2.68
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
2-(piperazin-1-ylmethyl)-1H-indol-7-amine
CID 117183535
5-chloro-2-(propan-2-yloxymethyl)-1H-indole
CID 117176868
2-[(cyclobutylamino)methyl]-1H-indol-7-amine
CID 117183481
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426
2-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
CID 174277979
1-(7-amino-1H-indol-2-yl)-3,3-dimethylbutan-1-one
CID 58192931
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
2-(2-methylpropyl)-1H-indol-7-ol
CID 126584152
2-[2-(methylamino)propyl]-1H-indol-7-ol
CID 117197123
7-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 63117917

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-1H-indol-7-amine?
The IUPAC name of 2-(propan-2-yloxymethyl)-1H-indol-7-amine (CID 117183754) is 2-(propan-2-yloxymethyl)-1H-indol-7-amine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-1H-indol-7-amine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-1H-indol-7-amine is CC(C)OCc1cc2cccc(N)c2[nH]1.
What is the InChIKey of 2-(propan-2-yloxymethyl)-1H-indol-7-amine?
The InChIKey is RKCPOWANUBWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)15-7-10-6-9-4-3-5-11(13)12(9)14-10/h3-6,8,14H,7,13H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)-1H-indol-7-amine?
2-(propan-2-yloxymethyl)-1H-indol-7-amine has a molecular weight of 204.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-1H-indol-7-amine is sourced from PubChem (CID 117183754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).