2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol

C23H30N2O2 — CID 21127126

IUPAC2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol
SMILESCCN(CCO)C(C)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C23H30N2O2/c1-5-24(13-14-26)17(2)23-18(3)25(16-19-9-7-6-8-10-19)22-12-11-20(27-4)15-21(22)23/h6-12,15,17,26H,5,13-14,16H2,1-4H3
InChIKeyAYSIDWMGPXVRFV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.38
Rot. Bonds8

About 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol

2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol (PubChem CID 21127126) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol
PubChem CID21127126
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol
SMILESCCN(CCO)C(C)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C23H30N2O2/c1-5-24(13-14-26)17(2)23-18(3)25(16-19-9-7-6-8-10-19)22-12-11-20(27-4)15-21(22)23/h6-12,15,17,26H,5,13-14,16H2,1-4H3
InChIKeyAYSIDWMGPXVRFV-UHFFFAOYSA-N
XLogP4.38
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
2-[[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dimethyloctanamide
CID 67563171
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-methylbutanoic acid
CID 10252093
1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
CID 82268873
2-(9-benzyl-4-ethyl-6-methoxy-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 67696118
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde
CID 122225837
N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3550223
2-acetamido-2-(1-benzyl-5-methoxy-2-methylindol-3-yl)-N-butyl-N-methyloctanamide
CID 67562401
2-(9-benzyl-6-methoxy-4-methyl-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 54227252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol?
The IUPAC name of 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol (CID 21127126) is 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol is CCN(CCO)C(C)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol?
The InChIKey is AYSIDWMGPXVRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-24(13-14-26)17(2)23-18(3)25(16-19-9-7-6-8-10-19)22-12-11-20(27-4)15-21(22)23/h6-12,15,17,26H,5,13-14,16H2,1-4H3.
What are the key properties of 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol?
2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol has a molecular weight of 366.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol is sourced from PubChem (CID 21127126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).