N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine

C15H22N2O — CID 102912150

IUPACN-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H22N2O/c1-12(2)11-18-8-7-16-10-13-3-4-15-14(9-13)5-6-17-15/h3-6,9,12,16-17H,7-8,10-11H2,1-2H3
InChIKeyTVDYWDDROHENRB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.93
Rot. Bonds7

About N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine

N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine (PubChem CID 102912150) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
PubChem CID102912150
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H22N2O/c1-12(2)11-18-8-7-16-10-13-3-4-15-14(9-13)5-6-17-15/h3-6,9,12,16-17H,7-8,10-11H2,1-2H3
InChIKeyTVDYWDDROHENRB-UHFFFAOYSA-N
XLogP2.93
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.93
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-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
4-[[2-(2-methylpropoxy)ethylamino]methyl]benzene-1,2-diol
CID 113224468
N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 102910510
2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 102911932
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115904861
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine (CID 102912150) is N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine is CC(C)COCCNCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine?
The InChIKey is TVDYWDDROHENRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)11-18-8-7-16-10-13-3-4-15-14(9-13)5-6-17-15/h3-6,9,12,16-17H,7-8,10-11H2,1-2H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine?
N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 102912150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).