4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol

C19H22N2O3 — CID 83976615

IUPAC4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
SMILESCOc1ccc2[nH]cc(C(CN)Cc3ccc(O)c(OC)c3)c2c1
InChIInChI=1S/C19H22N2O3/c1-23-14-4-5-17-15(9-14)16(11-21-17)13(10-20)7-12-3-6-18(22)19(8-12)24-2/h3-6,8-9,11,13,21-22H,7,10,20H2,1-2H3
InChIKeyJKDZNUDAKOPZAB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds6

About 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol

4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol (PubChem CID 83976615) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
PubChem CID83976615
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
SMILESCOc1ccc2[nH]cc(C(CN)Cc3ccc(O)c(OC)c3)c2c1
InChIInChI=1S/C19H22N2O3/c1-23-14-4-5-17-15(9-14)16(11-21-17)13(10-20)7-12-3-6-18(22)19(8-12)24-2/h3-6,8-9,11,13,21-22H,7,10,20H2,1-2H3
InChIKeyJKDZNUDAKOPZAB-UHFFFAOYSA-N
XLogP3.18
TPSA80.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol?
The IUPAC name of 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol (CID 83976615) is 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol is COc1ccc2[nH]cc(C(CN)Cc3ccc(O)c(OC)c3)c2c1.
What is the InChIKey of 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol?
The InChIKey is JKDZNUDAKOPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-14-4-5-17-15(9-14)16(11-21-17)13(10-20)7-12-3-6-18(22)19(8-12)24-2/h3-6,8-9,11,13,21-22H,7,10,20H2,1-2H3.
What are the key properties of 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol?
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol has a molecular weight of 326.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol is sourced from PubChem (CID 83976615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).