1-butan-2-yl-5-methoxy-2,3-dihydroindole

C13H19NO — CID 134286495

IUPAC1-butan-2-yl-5-methoxy-2,3-dihydroindole
SMILESCCC(C)N1CCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO/c1-4-10(2)14-8-7-11-9-12(15-3)5-6-13(11)14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyKIWQGIKNQAPVQZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.86
Rot. Bonds3

About 1-butan-2-yl-5-methoxy-2,3-dihydroindole

1-butan-2-yl-5-methoxy-2,3-dihydroindole (PubChem CID 134286495) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-butan-2-yl-5-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-butan-2-yl-5-methoxy-2,3-dihydroindole
PubChem CID134286495
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-butan-2-yl-5-methoxy-2,3-dihydroindole
SMILESCCC(C)N1CCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO/c1-4-10(2)14-8-7-11-9-12(15-3)5-6-13(11)14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyKIWQGIKNQAPVQZ-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-6-methoxy-2,3-dihydroindole
CID 134369277
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole
CID 167253761
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 22085729
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-methoxy-2,3-dihydroindole?
The IUPAC name of 1-butan-2-yl-5-methoxy-2,3-dihydroindole (CID 134286495) is 1-butan-2-yl-5-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-butan-2-yl-5-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-butan-2-yl-5-methoxy-2,3-dihydroindole is CCC(C)N1CCc2cc(OC)ccc21.
What is the InChIKey of 1-butan-2-yl-5-methoxy-2,3-dihydroindole?
The InChIKey is KIWQGIKNQAPVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(2)14-8-7-11-9-12(15-3)5-6-13(11)14/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-methoxy-2,3-dihydroindole?
1-butan-2-yl-5-methoxy-2,3-dihydroindole has a molecular weight of 205.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-methoxy-2,3-dihydroindole is sourced from PubChem (CID 134286495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).