2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C20H24N2O3 — CID 2248968

IUPAC2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1OC
InChIInChI=1S/C20H24N2O3/c1-23-18-9-8-15(19(24-2)20(18)25-3)12-21-11-10-14-13-22-17-7-5-4-6-16(14)17/h4-9,13,21-22H,10-12H2,1-3H3
InChIKeyMEIWHCODWVXPKN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.53
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 2248968) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID2248968
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1OC
InChIInChI=1S/C20H24N2O3/c1-23-18-9-8-15(19(24-2)20(18)25-3)12-21-11-10-14-13-22-17-7-5-4-6-16(14)17/h4-9,13,21-22H,10-12H2,1-3H3
InChIKeyMEIWHCODWVXPKN-UHFFFAOYSA-N
XLogP3.53
TPSA55.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 119106557
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 66535530
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 66536552
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 66536052
2-(1H-indol-3-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294280
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 2248968) is 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is COc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1OC.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is MEIWHCODWVXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-18-9-8-15(19(24-2)20(18)25-3)12-21-11-10-14-13-22-17-7-5-4-6-16(14)17/h4-9,13,21-22H,10-12H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 340.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2248968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).