2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride

C26H29ClN2O2 — CID 17333202

IUPAC2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCCc1ccccc1.Cl
InChIInChI=1S/C26H28N2O2.ClH/c1-29-26-17-21(11-12-25(26)30-16-14-20-7-3-2-4-8-20)18-27-15-13-22-19-28-24-10-6-5-9-23(22)24;/h2-12,17,19,27-28H,13-16,18H2,1H3;1H
InChIKeyQOSXWTXUKWORHN-UHFFFAOYSA-N
MW436.98 g/mol
LogP5.55
Rot. Bonds10

About 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride

2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride (PubChem CID 17333202) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
PubChem CID17333202
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC Name2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCCc1ccccc1.Cl
InChIInChI=1S/C26H28N2O2.ClH/c1-29-26-17-21(11-12-25(26)30-16-14-20-7-3-2-4-8-20)18-27-15-13-22-19-28-24-10-6-5-9-23(22)24;/h2-12,17,19,27-28H,13-16,18H2,1H3;1H
InChIKeyQOSXWTXUKWORHN-UHFFFAOYSA-N
XLogP5.55
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride 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-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
2-(1H-indol-3-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294280
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 119106557
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206368
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168
2-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]heptan-1-amine;hydrochloride
CID 17333184
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 4720848
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295573
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 29226233
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride (CID 17333202) is 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride is COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCCc1ccccc1.Cl.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is QOSXWTXUKWORHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.ClH/c1-29-26-17-21(11-12-25(26)30-16-14-20-7-3-2-4-8-20)18-27-15-13-22-19-28-24-10-6-5-9-23(22)24;/h2-12,17,19,27-28H,13-16,18H2,1H3;1H.
What are the key properties of 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride?
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 436.98 g/mol, XLogP of 5.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17333202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).