N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine

C14H20N2O — CID 102911874

IUPACN-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H20N2O/c1-11(2)17-8-7-15-10-12-3-4-14-13(9-12)5-6-16-14/h3-6,9,11,15-16H,7-8,10H2,1-2H3
InChIKeyGGBVDZJFURLGHV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.68
Rot. Bonds6

About N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine

N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine (PubChem CID 102911874) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
PubChem CID102911874
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H20N2O/c1-11(2)17-8-7-15-10-12-3-4-14-13(9-12)5-6-16-14/h3-6,9,11,15-16H,7-8,10H2,1-2H3
InChIKeyGGBVDZJFURLGHV-UHFFFAOYSA-N
XLogP2.68
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
CID 102912150
N-(2-propan-2-yloxyethyl)-1H-indol-5-amine
CID 118901042
2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 102910510
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 102911932
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine (CID 102911874) is N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine is CC(C)OCCNCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine?
The InChIKey is GGBVDZJFURLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)17-8-7-15-10-12-3-4-14-13(9-12)5-6-16-14/h3-6,9,11,15-16H,7-8,10H2,1-2H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine?
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.68, 6 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-propan-2-yloxyethanamine is sourced from PubChem (CID 102911874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).