3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine

C21H26N2O2 — CID 83976344

IUPAC3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2c[nH]c3ccccc23)c(OCC)c1
InChIInChI=1S/C21H26N2O2/c1-3-24-17-10-9-15(21(12-17)25-4-2)11-16(13-22)19-14-23-20-8-6-5-7-18(19)20/h5-10,12,14,16,23H,3-4,11,13,22H2,1-2H3
InChIKeyRXHWHRMVKSWDQX-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.25
Rot. Bonds8

About 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine

3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine (PubChem CID 83976344) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
PubChem CID83976344
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2c[nH]c3ccccc23)c(OCC)c1
InChIInChI=1S/C21H26N2O2/c1-3-24-17-10-9-15(21(12-17)25-4-2)11-16(13-22)19-14-23-20-8-6-5-7-18(19)20/h5-10,12,14,16,23H,3-4,11,13,22H2,1-2H3
InChIKeyRXHWHRMVKSWDQX-UHFFFAOYSA-N
XLogP4.25
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976343
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83975126
3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976328
2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine
CID 83977083
2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83974313

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine (CID 83976344) is 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine is CCOc1ccc(CC(CN)c2c[nH]c3ccccc23)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
The InChIKey is RXHWHRMVKSWDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-24-17-10-9-15(21(12-17)25-4-2)11-16(13-22)19-14-23-20-8-6-5-7-18(19)20/h5-10,12,14,16,23H,3-4,11,13,22H2,1-2H3.
What are the key properties of 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).