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

C20H24N2O3 — CID 83975126

IUPAC3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c[nH]c3ccccc23)c(OC)c1OC
InChIInChI=1S/C20H24N2O3/c1-23-18-9-8-16(19(24-2)20(18)25-3)13(11-21)10-14-12-22-17-7-5-4-6-15(14)17/h4-9,12-13,22H,10-11,21H2,1-3H3
InChIKeyVOPPSWILXHRUHY-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.48
Rot. Bonds7

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

3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine (PubChem CID 83975126) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
PubChem CID83975126
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c[nH]c3ccccc23)c(OC)c1OC
InChIInChI=1S/C20H24N2O3/c1-23-18-9-8-16(19(24-2)20(18)25-3)13(11-21)10-14-12-22-17-7-5-4-6-15(14)17/h4-9,12-13,22H,10-11,21H2,1-3H3
InChIKeyVOPPSWILXHRUHY-UHFFFAOYSA-N
XLogP3.48
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine
CID 83977083
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine (CID 83975126) is 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2c[nH]c3ccccc23)c(OC)c1OC.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine?
The InChIKey is VOPPSWILXHRUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-18-9-8-16(19(24-2)20(18)25-3)13(11-21)10-14-12-22-17-7-5-4-6-15(14)17/h4-9,12-13,22H,10-11,21H2,1-3H3.
What are the key properties of 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine?
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine has a molecular weight of 340.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).