(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol

C17H25ClN2O — CID 42589607

IUPAC(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@H](O)Cn1c(C)c(C)c2cccc(Cl)c21
InChIInChI=1S/C17H25ClN2O/c1-5-19(6-2)10-14(21)11-20-13(4)12(3)15-8-7-9-16(18)17(15)20/h7-9,14,21H,5-6,10-11H2,1-4H3/t14-/m0/s1
InChIKeyNWDPRMHVVATIQD-AWEZNQCLSA-N
MW308.85 g/mol
LogP3.61
Rot. Bonds6

About (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol

(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol (PubChem CID 42589607) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol
PubChem CID42589607
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@H](O)Cn1c(C)c(C)c2cccc(Cl)c21
InChIInChI=1S/C17H25ClN2O/c1-5-19(6-2)10-14(21)11-20-13(4)12(3)15-8-7-9-16(18)17(15)20/h7-9,14,21H,5-6,10-11H2,1-4H3/t14-/m0/s1
InChIKeyNWDPRMHVVATIQD-AWEZNQCLSA-N
XLogP3.61
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 17028357
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
(2S)-1-(azepan-1-yl)-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 42589641
1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 45283705
1-[(2S)-3-(7-chloro-2,3-dimethylindol-1-yl)-2-hydroxypropyl]piperidin-4-ol
CID 42589645
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(cyclohexylamino)propan-2-ol
CID 42589633
1-(7-chloro-2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 17028444
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol
CID 981296
1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
CID 60899997
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol (CID 42589607) is (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol is CCN(CC)C[C@H](O)Cn1c(C)c(C)c2cccc(Cl)c21.
What is the InChIKey of (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol?
The InChIKey is NWDPRMHVVATIQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-5-19(6-2)10-14(21)11-20-13(4)12(3)15-8-7-9-16(18)17(15)20/h7-9,14,21H,5-6,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol?
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol has a molecular weight of 308.85 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 42589607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).