2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

C20H24N2O — CID 45497570

IUPAC2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2c(C)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C20H24N2O/c1-14-4-9-20-19(12-14)18(15(2)22-20)10-11-21-13-16-5-7-17(23-3)8-6-16/h4-9,12,21-22H,10-11,13H2,1-3H3
InChIKeyOOBRJJSUZQFNSX-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.13
Rot. Bonds6

About 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 45497570) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID45497570
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2c(C)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C20H24N2O/c1-14-4-9-20-19(12-14)18(15(2)22-20)10-11-21-13-16-5-7-17(23-3)8-6-16/h4-9,12,21-22H,10-11,13H2,1-3H3
InChIKeyOOBRJJSUZQFNSX-UHFFFAOYSA-N
XLogP4.13
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 45497560
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 12005981
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[(2,4-difluorophenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 90485315
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497558
N-(1,3-benzothiazol-2-ylmethyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 126478720
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497559
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 45497570) is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCc2c(C)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is OOBRJJSUZQFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-4-9-20-19(12-14)18(15(2)22-20)10-11-21-13-16-5-7-17(23-3)8-6-16/h4-9,12,21-22H,10-11,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 308.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 45497570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).