2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol

C20H24N2O — CID 59737412

IUPAC2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N2O/c1-16-6-8-17(9-7-16)15-22(12-13-23)11-10-18-14-21-20-5-3-2-4-19(18)20/h2-9,14,21,23H,10-13,15H2,1H3
InChIKeyCFJBKSWGWRTSMO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol

2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol (PubChem CID 59737412) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol
PubChem CID59737412
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N2O/c1-16-6-8-17(9-7-16)15-22(12-13-23)11-10-18-14-21-20-5-3-2-4-19(18)20/h2-9,14,21,23H,10-13,15H2,1H3
InChIKeyCFJBKSWGWRTSMO-UHFFFAOYSA-N
XLogP3.51
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
CID 90853890
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 1057301
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42772544
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-benzyl-2-(1H-indol-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 138903568
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 53494673
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol (CID 59737412) is 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol is Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol?
The InChIKey is CFJBKSWGWRTSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-6-8-17(9-7-16)15-22(12-13-23)11-10-18-14-21-20-5-3-2-4-19(18)20/h2-9,14,21,23H,10-13,15H2,1H3.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol?
2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol has a molecular weight of 308.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 59737412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).