2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine

C21H26N2O — CID 83974313

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C21H26N2O/c1-4-24-18-9-10-19(15(2)11-18)16(13-22)12-17-14-23(3)21-8-6-5-7-20(17)21/h5-11,14,16H,4,12-13,22H2,1-3H3
InChIKeyZYWMLBWZYZEPFM-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine

2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine (PubChem CID 83974313) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
PubChem CID83974313
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C21H26N2O/c1-4-24-18-9-10-19(15(2)11-18)16(13-22)12-17-14-23(3)21-8-6-5-7-20(17)21/h5-11,14,16H,4,12-13,22H2,1-3H3
InChIKeyZYWMLBWZYZEPFM-UHFFFAOYSA-N
XLogP4.17
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975209
2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975787
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974234
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213
3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine (CID 83974313) is 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine is CCOc1ccc(C(CN)Cc2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is ZYWMLBWZYZEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-24-18-9-10-19(15(2)11-18)16(13-22)12-17-14-23(3)21-8-6-5-7-20(17)21/h5-11,14,16H,4,12-13,22H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine?
2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 322.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83974313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).