2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine

C20H24N2O — CID 11130636

IUPAC2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
SMILESCOc1ccc2c(c1)c(C(C)CN)cn2CCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-15(13-21)19-14-22(11-10-16-6-4-3-5-7-16)20-9-8-17(23-2)12-18(19)20/h3-9,12,14-15H,10-11,13,21H2,1-2H3
InChIKeyIPRUYTIOADJDCQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.95
Rot. Bonds6

About 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine

2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine (PubChem CID 11130636) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
PubChem CID11130636
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
SMILESCOc1ccc2c(c1)c(C(C)CN)cn2CCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-15(13-21)19-14-22(11-10-16-6-4-3-5-7-16)20-9-8-17(23-2)12-18(19)20/h3-9,12,14-15H,10-11,13,21H2,1-2H3
InChIKeyIPRUYTIOADJDCQ-UHFFFAOYSA-N
XLogP3.95
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
CID 175255452
2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
CID 117120754
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
(1-benzyl-5-methoxyindol-3-yl) acetate
CID 50941305
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine (CID 11130636) is 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine is COc1ccc2c(c1)c(C(C)CN)cn2CCc1ccccc1.
What is the InChIKey of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine?
The InChIKey is IPRUYTIOADJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15(13-21)19-14-22(11-10-16-6-4-3-5-7-16)20-9-8-17(23-2)12-18(19)20/h3-9,12,14-15H,10-11,13,21H2,1-2H3.
What are the key properties of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine?
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine is sourced from PubChem (CID 11130636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).