N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine

C12H17N3O — CID 124907942

IUPACN'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc2[nH]cc(CNCCN)c2c1
InChIInChI=1S/C12H17N3O/c1-16-10-2-3-12-11(6-10)9(8-15-12)7-14-5-4-13/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyHWQZOPKXUWYHSD-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.22
Rot. Bonds5

About N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine

N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 124907942) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
PubChem CID124907942
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc2[nH]cc(CNCCN)c2c1
InChIInChI=1S/C12H17N3O/c1-16-10-2-3-12-11(6-10)9(8-15-12)7-14-5-4-13/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyHWQZOPKXUWYHSD-UHFFFAOYSA-N
XLogP1.22
TPSA63.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine 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

2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
CID 42646833
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029431
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine (CID 124907942) is N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine is COc1ccc2[nH]cc(CNCCN)c2c1.
What is the InChIKey of N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is HWQZOPKXUWYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-10-2-3-12-11(6-10)9(8-15-12)7-14-5-4-13/h2-3,6,8,14-15H,4-5,7,13H2,1H3.
What are the key properties of N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine?
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 124907942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).