1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol

C17H25ClN2O3 — CID 17028357

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN(CCO)CCO)c2c(Cl)cccc12
InChIInChI=1S/C17H25ClN2O3/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(23)10-19(6-8-21)7-9-22/h3-5,14,21-23H,6-11H2,1-2H3
InChIKeyKIXSQXBWSZXCPF-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.56
Rot. Bonds8

About 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol (PubChem CID 17028357) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
PubChem CID17028357
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN(CCO)CCO)c2c(Cl)cccc12
InChIInChI=1S/C17H25ClN2O3/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(23)10-19(6-8-21)7-9-22/h3-5,14,21-23H,6-11H2,1-2H3
InChIKeyKIXSQXBWSZXCPF-UHFFFAOYSA-N
XLogP1.56
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(3,6-dichloro-9H-carbazol-9-yl)-3-((2-methoxyethyl)amino)propan-2-ol
CID 2920941
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
1-(3-Chloro-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol
CID 3103959
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-chlorophenyl)methanesulfonamide
CID 2887918
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 16188855
1-(3,6-Dichlorocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802133
1-(3,6-Dichlorocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836155
1-(cyclohexylamino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2851036
1-(4-benzylpiperazin-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2852080
1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(propan-2-yl)amino]propan-2-ol
CID 2855364

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol (CID 17028357) is 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol is Cc1c(C)n(CC(O)CN(CCO)CCO)c2c(Cl)cccc12.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol?
The InChIKey is KIXSQXBWSZXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(23)10-19(6-8-21)7-9-22/h3-5,14,21-23H,6-11H2,1-2H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol has a molecular weight of 340.85 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 17028357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).