2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine

C16H24N2O — CID 122529635

IUPAC2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine
SMILESCCCCc1cc2cc(N)c(OC(C)(C)C)cc2[nH]1
InChIInChI=1S/C16H24N2O/c1-5-6-7-12-8-11-9-13(17)15(10-14(11)18-12)19-16(2,3)4/h8-10,18H,5-7,17H2,1-4H3
InChIKeyCNAYBDSOBCOMIP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.27
Rot. Bonds4

About 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine

2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine (PubChem CID 122529635) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine.

Molecular Properties

Compound Name2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine
PubChem CID122529635
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine
SMILESCCCCc1cc2cc(N)c(OC(C)(C)C)cc2[nH]1
InChIInChI=1S/C16H24N2O/c1-5-6-7-12-8-11-9-13(17)15(10-14(11)18-12)19-16(2,3)4/h8-10,18H,5-7,17H2,1-4H3
InChIKeyCNAYBDSOBCOMIP-UHFFFAOYSA-N
XLogP4.27
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.27
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-butyl-1H-indol-6-amine
CID 119094791
4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole
CID 118446488
6-bromo-2-octyl-1H-indole
CID 86224131
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
butyl 2-dodecyl-1H-indole-6-carboxylate
CID 12799939
2-butyl-5-nitro-1H-indol-7-amine
CID 121008610
2-octyl-5-phenyl-1H-indole
CID 134909135
2-butyl-4-tert-butyl-1H-pyrrole
CID 155369940
tert-butyl N-[(6-amino-5-chloro-1H-indol-2-yl)methyl]carbamate
CID 171518486

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine?
The IUPAC name of 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine (CID 122529635) is 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine.
What is the SMILES notation for 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine?
The canonical SMILES for 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine is CCCCc1cc2cc(N)c(OC(C)(C)C)cc2[nH]1.
What is the InChIKey of 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine?
The InChIKey is CNAYBDSOBCOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-6-7-12-8-11-9-13(17)15(10-14(11)18-12)19-16(2,3)4/h8-10,18H,5-7,17H2,1-4H3.
What are the key properties of 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine?
2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine has a molecular weight of 260.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine is sourced from PubChem (CID 122529635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).