N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine

C19H23N3O2 — CID 143184285

IUPACN'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine
SMILESCONCCCNc1ccc(-c2cc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H23N3O2/c1-23-17-9-6-15-12-18(22-19(15)13-17)14-4-7-16(8-5-14)20-10-3-11-21-24-2/h4-9,12-13,20-22H,3,10-11H2,1-2H3
InChIKeyWXDSXIPALODEKM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.80
Rot. Bonds8

About N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine

N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine (PubChem CID 143184285) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine
PubChem CID143184285
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine
SMILESCONCCCNc1ccc(-c2cc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H23N3O2/c1-23-17-9-6-15-12-18(22-19(15)13-17)14-4-7-16(8-5-14)20-10-3-11-21-24-2/h4-9,12-13,20-22H,3,10-11H2,1-2H3
InChIKeyWXDSXIPALODEKM-UHFFFAOYSA-N
XLogP3.80
TPSA58.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
2-(6-methoxy-1H-indol-2-yl)-N-methylpropan-2-amine
CID 82615050
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole
CID 44553261
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine
CID 142923621

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine?
The IUPAC name of N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine (CID 143184285) is N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine?
The canonical SMILES for N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine is CONCCCNc1ccc(-c2cc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine?
The InChIKey is WXDSXIPALODEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-9-6-15-12-18(22-19(15)13-17)14-4-7-16(8-5-14)20-10-3-11-21-24-2/h4-9,12-13,20-22H,3,10-11H2,1-2H3.
What are the key properties of N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine?
N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine has a molecular weight of 325.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 143184285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).