1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol

C19H21ClN2O — CID 11324939

IUPAC1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3
InChIKeyAGWBMRMDTWHPJM-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.08
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11324939) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11324939
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3
InChIKeyAGWBMRMDTWHPJM-UHFFFAOYSA-N
XLogP4.08
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 11189002
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
3-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid
CID 69457737
methyl 2-[[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-6-yl]oxy]acetate
CID 11362991
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
N-[2-hydroxy-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]phenyl]methanesulfonamide
CID 139699356
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile
CID 19826090
2-amino-5-[(1R)-1-hydroxy-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethyl]pyridine-3-carbonitrile
CID 15137762
(4-benzylpiperidin-1-yl)-[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]methanone
CID 69459138
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11324939) is 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol is CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is AGWBMRMDTWHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 328.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11324939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).