2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine

C15H22N2O — CID 62325957

IUPAC2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCCCCOCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-2-3-9-18-10-8-16-11-13-12-17-15-7-5-4-6-14(13)15/h4-7,12,16-17H,2-3,8-11H2,1H3
InChIKeyHGGLEZNUKKVDIM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.07
Rot. Bonds8

About 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine

2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine (PubChem CID 62325957) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
PubChem CID62325957
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCCCCOCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-2-3-9-18-10-8-16-11-13-12-17-15-7-5-4-6-14(13)15/h4-7,12,16-17H,2-3,8-11H2,1H3
InChIKeyHGGLEZNUKKVDIM-UHFFFAOYSA-N
XLogP3.07
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.07
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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Related Compounds

N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
3-(octacosoxymethyl)-1H-indole
CID 11512197
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
3-heptyl-1H-indole
CID 15360907
(1H-indol-3-ylmethylamino)methanol
CID 115228988

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine (CID 62325957) is 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine is CCCCOCCNCc1c[nH]c2ccccc12.
What is the InChIKey of 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine?
The InChIKey is HGGLEZNUKKVDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-9-18-10-8-16-11-13-12-17-15-7-5-4-6-14(13)15/h4-7,12,16-17H,2-3,8-11H2,1H3.
What are the key properties of 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine?
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine is sourced from PubChem (CID 62325957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).