2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

C21H26N2O2 — CID 21071638

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNCCc2c[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C21H26N2O2/c1-3-11-25-19-6-4-5-16(12-19)14-22-10-9-17-15-23-21-8-7-18(24-2)13-20(17)21/h4-8,12-13,15,22-23H,3,9-11,14H2,1-2H3
InChIKeyHGSJDCZGXXGKPD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.30
Rot. Bonds9

About 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 21071638) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID21071638
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNCCc2c[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C21H26N2O2/c1-3-11-25-19-6-4-5-16(12-19)14-22-10-9-17-15-23-21-8-7-18(24-2)13-20(17)21/h4-8,12-13,15,22-23H,3,9-11,14H2,1-2H3
InChIKeyHGSJDCZGXXGKPD-UHFFFAOYSA-N
XLogP4.30
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.30
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

2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]-2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 87916652
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 29226233
3-[2-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methylamino]ethyl]-1H-indol-5-amine
CID 87916629
N-[2-(5-propoxy-1H-indol-3-yl)ethyl]-3-(2,2,3,3-tetrafluoropropoxy)aniline
CID 21071646

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 21071638) is 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CNCCc2c[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is HGSJDCZGXXGKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-11-25-19-6-4-5-16(12-19)14-22-10-9-17-15-23-21-8-7-18(24-2)13-20(17)21/h4-8,12-13,15,22-23H,3,9-11,14H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 338.45 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 21071638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).