(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol

C18H19ClN2O3 — CID 39889978

IUPAC(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol
SMILESCOc1ccc(N[C@H](O)Cn2ccc3c(Cl)cccc32)c(OC)c1
InChIInChI=1S/C18H19ClN2O3/c1-23-12-6-7-15(17(10-12)24-2)20-18(22)11-21-9-8-13-14(19)4-3-5-16(13)21/h3-10,18,20,22H,11H2,1-2H3/t18-/m1/s1
InChIKeyODCDQZKFHNNGEN-GOSISDBHSA-N
MW346.81 g/mol
LogP3.74
Rot. Bonds6

About (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol

(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol (PubChem CID 39889978) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol.

Molecular Properties

Compound Name(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol
PubChem CID39889978
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol
SMILESCOc1ccc(N[C@H](O)Cn2ccc3c(Cl)cccc32)c(OC)c1
InChIInChI=1S/C18H19ClN2O3/c1-23-12-6-7-15(17(10-12)24-2)20-18(22)11-21-9-8-13-14(19)4-3-5-16(13)21/h3-10,18,20,22H,11H2,1-2H3/t18-/m1/s1
InChIKeyODCDQZKFHNNGEN-GOSISDBHSA-N
XLogP3.74
TPSA55.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5-Chloro-2,4-dimethoxyphenyl)-4-(1H-indol-3-YL)-1,2,3,6-tetrahydropyridine-1-carboxamide
CID 16022475
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-1H-indol-3-yl)acetamide
CID 20851579
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 41415076
1-[(2,4-dimethoxyphenyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 3461039
1-(3,6-Dichloro-carbazol-9-yl)-3-(2,4-dimethoxy-phenylamino)-propan-2-ol
CID 2858958
1-Indol-1-yl-3-(2-methoxyanilino)propan-2-ol
CID 6488938
1-(2,4-dimethoxyphenyl)-3-[1-(2-methoxyethyl)-1H-indol-3-yl]urea
CID 16803761
1-(2,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)urea
CID 18582347
1-[2-[4-[2,4-Bis(trifluoromethoxy)phenyl]piperazin-1-yl]ethyl]-5-chloroindole
CID 90182709
1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride
CID 2970155
1-(1H-indol-1-yl)-3-[(4-methoxyphenyl)amino]propan-2-ol
CID 2970156
4-Chloro-1-(4-methoxyphenyl)indole
CID 138969832

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol?
The IUPAC name of (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol (CID 39889978) is (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol.
What is the SMILES notation for (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol?
The canonical SMILES for (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol is COc1ccc(N[C@H](O)Cn2ccc3c(Cl)cccc32)c(OC)c1.
What is the InChIKey of (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol?
The InChIKey is ODCDQZKFHNNGEN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-12-6-7-15(17(10-12)24-2)20-18(22)11-21-9-8-13-14(19)4-3-5-16(13)21/h3-10,18,20,22H,11H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol?
(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol has a molecular weight of 346.81 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol is sourced from PubChem (CID 39889978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).