1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride

C23H24ClN2O- — CID 21235133

IUPAC1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
SMILESCc1c(C)n(CC(O)CNc2cccc3ccccc23)c2ccccc12.[Cl-]
InChIInChI=1S/C23H24N2O.ClH/c1-16-17(2)25(23-13-6-5-10-20(16)23)15-19(26)14-24-22-12-7-9-18-8-3-4-11-21(18)22;/h3-13,19,24,26H,14-15H2,1-2H3;1H/p-1
InChIKeyFNWDVSDRWLILBN-UHFFFAOYSA-M
MW379.91 g/mol
LogP1.89
Rot. Bonds5

About 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride

1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride (PubChem CID 21235133) has the molecular formula C23H24ClN2O- and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
PubChem CID21235133
Molecular FormulaC23H24ClN2O-
Molecular Weight379.91 g/mol
Exact Mass379.16
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
SMILESCc1c(C)n(CC(O)CNc2cccc3ccccc23)c2ccccc12.[Cl-]
InChIInChI=1S/C23H24N2O.ClH/c1-16-17(2)25(23-13-6-5-10-20(16)23)15-19(26)14-24-22-12-7-9-18-8-3-4-11-21(18)22;/h3-13,19,24,26H,14-15H2,1-2H3;1H/p-1
InChIKeyFNWDVSDRWLILBN-UHFFFAOYSA-M
XLogP1.89
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2,3-dimethylindol-1-yl)-3-(2-methoxyanilino)propan-2-ol
CID 703578
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
1-(2,3-dimethylindol-1-yl)-3-(4-methoxyanilino)propan-2-ol
CID 2896322
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]sulfanylphenol
CID 70694767
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 7110489

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride (CID 21235133) is 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride is Cc1c(C)n(CC(O)CNc2cccc3ccccc23)c2ccccc12.[Cl-].
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride?
The InChIKey is FNWDVSDRWLILBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24N2O.ClH/c1-16-17(2)25(23-13-6-5-10-20(16)23)15-19(26)14-24-22-12-7-9-18-8-3-4-11-21(18)22;/h3-13,19,24,26H,14-15H2,1-2H3;1H/p-1.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride?
1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride has a molecular weight of 379.91 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride is sourced from PubChem (CID 21235133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).