(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol

C24H22Cl2N2O — CID 2115092

IUPAC(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
SMILESO[C@@H](CNC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H22Cl2N2O/c25-17-10-11-18(22(26)12-17)20(21-14-28-23-9-5-4-8-19(21)23)13-27-15-24(29)16-6-2-1-3-7-16/h1-12,14,20,24,27-29H,13,15H2/t20-,24-/m0/s1
InChIKeyDHVLQBMFWWTSRF-RDPSFJRHSA-N
MW425.36 g/mol
LogP5.93
Rot. Bonds7

About (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol

(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol (PubChem CID 2115092) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
PubChem CID2115092
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
SMILESO[C@@H](CNC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H22Cl2N2O/c25-17-10-11-18(22(26)12-17)20(21-14-28-23-9-5-4-8-19(21)23)13-27-15-24(29)16-6-2-1-3-7-16/h1-12,14,20,24,27-29H,13,15H2/t20-,24-/m0/s1
InChIKeyDHVLQBMFWWTSRF-RDPSFJRHSA-N
XLogP5.93
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol with MolForge

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
CID 112844805
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide
CID 112823599
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 112793694
N-[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2489801
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 112793678
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4878622
N-[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2455601
3-[[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]methyl]benzamide
CID 112818253
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 112831796
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol (CID 2115092) is (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol is O[C@@H](CNC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol?
The InChIKey is DHVLQBMFWWTSRF-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c25-17-10-11-18(22(26)12-17)20(21-14-28-23-9-5-4-8-19(21)23)13-27-15-24(29)16-6-2-1-3-7-16/h1-12,14,20,24,27-29H,13,15H2/t20-,24-/m0/s1.
What are the key properties of (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol?
(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol has a molecular weight of 425.36 g/mol, XLogP of 5.93, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol is sourced from PubChem (CID 2115092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).