2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol

C18H19ClN2O — CID 176845640

IUPAC2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
SMILESOCCNCc1cccc2c1ccn2Cc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-17-6-2-1-4-15(17)13-21-10-8-16-14(12-20-9-11-22)5-3-7-18(16)21/h1-8,10,20,22H,9,11-13H2
InChIKeyAHLZWTFLLVEQAH-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.42
Rot. Bonds6

About 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol

2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol (PubChem CID 176845640) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
PubChem CID176845640
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
SMILESOCCNCc1cccc2c1ccn2Cc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-17-6-2-1-4-15(17)13-21-10-8-16-14(12-20-9-11-22)5-3-7-18(16)21/h1-8,10,20,22H,9,11-13H2
InChIKeyAHLZWTFLLVEQAH-UHFFFAOYSA-N
XLogP3.42
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
methyl 2-[(4-chloroindol-1-yl)methyl]benzoate
CID 82954358
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide
CID 177193533
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol?
The IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol (CID 176845640) is 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol?
The canonical SMILES for 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol is OCCNCc1cccc2c1ccn2Cc1ccccc1Cl.
What is the InChIKey of 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol?
The InChIKey is AHLZWTFLLVEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-17-6-2-1-4-15(17)13-21-10-8-16-14(12-20-9-11-22)5-3-7-18(16)21/h1-8,10,20,22H,9,11-13H2.
What are the key properties of 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol?
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol has a molecular weight of 314.82 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol is sourced from PubChem (CID 176845640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).