3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol

C18H20N2O2 — CID 117179000

IUPAC3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2cccc(O)c2)c2ccc(N)cc21
InChIInChI=1S/C18H20N2O2/c1-12(2)20-10-13(17-7-6-14(19)8-18(17)20)11-22-16-5-3-4-15(21)9-16/h3-10,12,21H,11,19H2,1-2H3
InChIKeyXLBYIIVNJGLEEZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.09
Rot. Bonds4

About 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol

3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol (PubChem CID 117179000) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
PubChem CID117179000
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2cccc(O)c2)c2ccc(N)cc21
InChIInChI=1S/C18H20N2O2/c1-12(2)20-10-13(17-7-6-14(19)8-18(17)20)11-22-16-5-3-4-15(21)9-16/h3-10,12,21H,11,19H2,1-2H3
InChIKeyXLBYIIVNJGLEEZ-UHFFFAOYSA-N
XLogP4.09
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
CID 117175660
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
3-(phenoxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175773
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
CID 117179103
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
CID 117179101

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol?
The IUPAC name of 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol (CID 117179000) is 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol?
The canonical SMILES for 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol is CC(C)n1cc(COc2cccc(O)c2)c2ccc(N)cc21.
What is the InChIKey of 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol?
The InChIKey is XLBYIIVNJGLEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)20-10-13(17-7-6-14(19)8-18(17)20)11-22-16-5-3-4-15(21)9-16/h3-10,12,21H,11,19H2,1-2H3.
What are the key properties of 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol?
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol has a molecular weight of 296.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117179000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).