O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine

C13H18N2O — CID 117194362

IUPACO-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
SMILESCc1cccc2c1cc(CON)n2C(C)C
InChIInChI=1S/C13H18N2O/c1-9(2)15-11(8-16-14)7-12-10(3)5-4-6-13(12)15/h4-7,9H,8,14H2,1-3H3
InChIKeyWMYUNCYQLVGDNA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds3

About O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine

O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine (PubChem CID 117194362) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
PubChem CID117194362
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameO-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
SMILESCc1cccc2c1cc(CON)n2C(C)C
InChIInChI=1S/C13H18N2O/c1-9(2)15-11(8-16-14)7-12-10(3)5-4-6-13(12)15/h4-7,9H,8,14H2,1-3H3
InChIKeyWMYUNCYQLVGDNA-UHFFFAOYSA-N
XLogP2.92
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[(1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194314
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117174060

Frequently Asked Questions

What is the IUPAC name of O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine (CID 117194362) is O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine is Cc1cccc2c1cc(CON)n2C(C)C.
What is the InChIKey of O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine?
The InChIKey is WMYUNCYQLVGDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)15-11(8-16-14)7-12-10(3)5-4-6-13(12)15/h4-7,9H,8,14H2,1-3H3.
What are the key properties of O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine?
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine has a molecular weight of 218.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 117194362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).