[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol

C18H20N2O2 — CID 170073255

IUPAC[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol
SMILESCCOC(O)c1c(CN)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H20N2O2/c1-2-22-18(21)17-14-10-6-7-11-15(14)20(16(17)12-19)13-8-4-3-5-9-13/h3-11,18,21H,2,12,19H2,1H3
InChIKeyDPZFHCIWABPBJE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.12
Rot. Bonds5

About [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol

[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol (PubChem CID 170073255) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol
PubChem CID170073255
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol
SMILESCCOC(O)c1c(CN)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H20N2O2/c1-2-22-18(21)17-14-10-6-7-11-15(14)20(16(17)12-19)13-8-4-3-5-9-13/h3-11,18,21H,2,12,19H2,1H3
InChIKeyDPZFHCIWABPBJE-UHFFFAOYSA-N
XLogP3.12
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-[ethoxy(hydroxy)methyl]-1-(3-methylbutyl)indol-2-yl]methyl acetate
CID 134420418
ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
CID 170071224
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate
CID 122384593
[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 123530734
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625
2-(3-bromo-1-phenylindol-2-yl)acetic acid
CID 70874542
2-(3-methyl-1-phenylindol-2-yl)acetonitrile
CID 23457308
methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate
CID 13220390

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol?
The IUPAC name of [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol (CID 170073255) is [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol.
What is the SMILES notation for [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol?
The canonical SMILES for [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol is CCOC(O)c1c(CN)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol?
The InChIKey is DPZFHCIWABPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-22-18(21)17-14-10-6-7-11-15(14)20(16(17)12-19)13-8-4-3-5-9-13/h3-11,18,21H,2,12,19H2,1H3.
What are the key properties of [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol?
[2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol has a molecular weight of 296.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1-phenylindol-3-yl]-ethoxymethanol is sourced from PubChem (CID 170073255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).