2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol

C18H20N2O2 — CID 111114815

IUPAC2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H20N2O2/c1-22-15-6-2-4-13(10-15)18(21)12-19-11-14-5-3-7-17-16(14)8-9-20-17/h2-10,18-21H,11-12H2,1H3
InChIKeyPBEKZAIWESXGHF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.00
Rot. Bonds6

About 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol

2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol (PubChem CID 111114815) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
PubChem CID111114815
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H20N2O2/c1-22-15-6-2-4-13(10-15)18(21)12-19-11-14-5-3-7-17-16(14)8-9-20-17/h2-10,18-21H,11-12H2,1H3
InChIKeyPBEKZAIWESXGHF-UHFFFAOYSA-N
XLogP3.00
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 119110075
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 119110654
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol (CID 111114815) is 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCc2cccc3[nH]ccc23)c1.
What is the InChIKey of 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is PBEKZAIWESXGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-15-6-2-4-13(10-15)18(21)12-19-11-14-5-3-7-17-16(14)8-9-20-17/h2-10,18-21H,11-12H2,1H3.
What are the key properties of 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol?
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 296.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111114815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).