N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine

C16H24N2O — CID 62563888

IUPACN-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
SMILESCOCCNCCCCn1c(C)cc2ccccc21
InChIInChI=1S/C16H24N2O/c1-14-13-15-7-3-4-8-16(15)18(14)11-6-5-9-17-10-12-19-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeySOOABORSINIWAA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.97
Rot. Bonds8

About N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine

N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine (PubChem CID 62563888) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
PubChem CID62563888
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
SMILESCOCCNCCCCn1c(C)cc2ccccc21
InChIInChI=1S/C16H24N2O/c1-14-13-15-7-3-4-8-16(15)18(14)11-6-5-9-17-10-12-19-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeySOOABORSINIWAA-UHFFFAOYSA-N
XLogP2.97
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.97
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

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N-[2-(2-methylindol-1-yl)ethyl]acetamide
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4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
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1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
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N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
3-[3-(2-methoxyethylamino)propyl]-1,3-benzoxazol-2-one
CID 62564028
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
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N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62563025

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine (CID 62563888) is N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine is COCCNCCCCn1c(C)cc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine?
The InChIKey is SOOABORSINIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-13-15-7-3-4-8-16(15)18(14)11-6-5-9-17-10-12-19-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine?
N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine is sourced from PubChem (CID 62563888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).