N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine

C20H24N2O2 — CID 119110696

IUPACN-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine
SMILESCOc1ccc(COCCCNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H24N2O2/c1-23-18-8-6-16(7-9-18)15-24-13-3-11-21-14-17-4-2-5-20-19(17)10-12-22-20/h2,4-10,12,21-22H,3,11,13-15H2,1H3
InChIKeyDIQTXAWOOSCUAT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.87
Rot. Bonds9

About N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine

N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine (PubChem CID 119110696) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine
PubChem CID119110696
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine
SMILESCOc1ccc(COCCCNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H24N2O2/c1-23-18-8-6-16(7-9-18)15-24-13-3-11-21-14-17-4-2-5-20-19(17)10-12-22-20/h2,4-10,12,21-22H,3,11,13-15H2,1H3
InChIKeyDIQTXAWOOSCUAT-UHFFFAOYSA-N
XLogP3.87
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethoxy)-N-(1H-indol-4-ylmethyl)propan-1-amine
CID 63000090
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
N-[3-(1H-indol-4-ylmethylamino)propyl]ethanesulfonamide
CID 119110562
N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 119109923
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
CID 62456313
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
3-butoxy-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17207628
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine (CID 119110696) is N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine is COc1ccc(COCCCNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine?
The InChIKey is DIQTXAWOOSCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-23-18-8-6-16(7-9-18)15-24-13-3-11-21-14-17-4-2-5-20-19(17)10-12-22-20/h2,4-10,12,21-22H,3,11,13-15H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine?
N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine has a molecular weight of 324.42 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 119110696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).