2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine

C15H22N2O — CID 113230724

IUPAC2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
SMILESCCCCOCCNCc1cccc2cc[nH]c12
InChIInChI=1S/C15H22N2O/c1-2-3-10-18-11-9-16-12-14-6-4-5-13-7-8-17-15(13)14/h4-8,16-17H,2-3,9-12H2,1H3
InChIKeyKDOGMNKEGVLVRY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.07
Rot. Bonds8

About 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine

2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine (PubChem CID 113230724) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
PubChem CID113230724
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
SMILESCCCCOCCNCc1cccc2cc[nH]c12
InChIInChI=1S/C15H22N2O/c1-2-3-10-18-11-9-16-12-14-6-4-5-13-7-8-17-15(13)14/h4-8,16-17H,2-3,9-12H2,1H3
InChIKeyKDOGMNKEGVLVRY-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-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
2-butoxy-N-(isoquinolin-5-ylmethyl)ethanamine
CID 62824958
N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
CID 103757748
2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
CID 103748737
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
CID 115461715
2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
CID 103178918
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine (CID 113230724) is 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine is CCCCOCCNCc1cccc2cc[nH]c12.
What is the InChIKey of 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine?
The InChIKey is KDOGMNKEGVLVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-10-18-11-9-16-12-14-6-4-5-13-7-8-17-15(13)14/h4-8,16-17H,2-3,9-12H2,1H3.
What are the key properties of 2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine?
2-butoxy-N-(1H-indol-7-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-7-ylmethyl)ethanamine is sourced from PubChem (CID 113230724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).