4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine

C25H28N2O — CID 3884218

IUPAC4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1c(-c2[nH]c3cc(C)cc(C)c3c2CCCCN)ccc2ccccc12
InChIInChI=1S/C25H28N2O/c1-16-14-17(2)23-20(10-6-7-13-26)24(27-22(23)15-16)21-12-11-18-8-4-5-9-19(18)25(21)28-3/h4-5,8-9,11-12,14-15,27H,6-7,10,13,26H2,1-3H3
InChIKeyJZVKINCUHWKCIX-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.89
Rot. Bonds6

About 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine

4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3884218) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
PubChem CID3884218
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1c(-c2[nH]c3cc(C)cc(C)c3c2CCCCN)ccc2ccccc12
InChIInChI=1S/C25H28N2O/c1-16-14-17(2)23-20(10-6-7-13-26)24(27-22(23)15-16)21-12-11-18-8-4-5-9-19(18)25(21)28-3/h4-5,8-9,11-12,14-15,27H,6-7,10,13,26H2,1-3H3
InChIKeyJZVKINCUHWKCIX-UHFFFAOYSA-N
XLogP5.89
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine (CID 3884218) is 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine is COc1c(-c2[nH]c3cc(C)cc(C)c3c2CCCCN)ccc2ccccc12.
What is the InChIKey of 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is JZVKINCUHWKCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-16-14-17(2)23-20(10-6-7-13-26)24(27-22(23)15-16)21-12-11-18-8-4-5-9-19(18)25(21)28-3/h4-5,8-9,11-12,14-15,27H,6-7,10,13,26H2,1-3H3.
What are the key properties of 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine?
4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 372.51 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxynaphthalen-2-yl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3884218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).