4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine

C17H26N2O — CID 83162352

IUPAC4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1cccc2c1ccn2CCCCNCC(C)C
InChIInChI=1S/C17H26N2O/c1-14(2)13-18-10-4-5-11-19-12-9-15-16(19)7-6-8-17(15)20-3/h6-9,12,14,18H,4-5,10-11,13H2,1-3H3
InChIKeyDHLQACKNQKCCKQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.68
Rot. Bonds8

About 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine

4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 83162352) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID83162352
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1cccc2c1ccn2CCCCNCC(C)C
InChIInChI=1S/C17H26N2O/c1-14(2)13-18-10-4-5-11-19-12-9-15-16(19)7-6-8-17(15)20-3/h6-9,12,14,18H,4-5,10-11,13H2,1-3H3
InChIKeyDHLQACKNQKCCKQ-UHFFFAOYSA-N
XLogP3.68
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
1-heptyl-4-methoxyindole
CID 83174164
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
1-[3-(2-methylpropylamino)propyl]indole-4-carbonitrile
CID 107918865
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895
N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 83164912
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 83162352) is 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine is COc1cccc2c1ccn2CCCCNCC(C)C.
What is the InChIKey of 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DHLQACKNQKCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)13-18-10-4-5-11-19-12-9-15-16(19)7-6-8-17(15)20-3/h6-9,12,14,18H,4-5,10-11,13H2,1-3H3.
What are the key properties of 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83162352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).