1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol

C18H19ClN2O — CID 11688248

IUPAC1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
SMILESCNCC(O)C(c1ccccc1Cl)n1ccc2ccccc21
InChIInChI=1S/C18H19ClN2O/c1-20-12-17(22)18(14-7-3-4-8-15(14)19)21-11-10-13-6-2-5-9-16(13)21/h2-11,17-18,20,22H,12H2,1H3
InChIKeyDGZJTKQIMNNTQO-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol

1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol (PubChem CID 11688248) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
PubChem CID11688248
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
SMILESCNCC(O)C(c1ccccc1Cl)n1ccc2ccccc21
InChIInChI=1S/C18H19ClN2O/c1-20-12-17(22)18(14-7-3-4-8-15(14)19)21-11-10-13-6-2-5-9-16(13)21/h2-11,17-18,20,22H,12H2,1H3
InChIKeyDGZJTKQIMNNTQO-UHFFFAOYSA-N
XLogP3.46
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane
CID 162035032
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 68904895
1-[(2-chlorophenyl)-indol-1-ylmethyl]indole
CID 134133187
(1R,2S)-1-indol-1-yl-3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906584
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 68903649
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 141172289
(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906806

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol (CID 11688248) is 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol is CNCC(O)C(c1ccccc1Cl)n1ccc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
The InChIKey is DGZJTKQIMNNTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-20-12-17(22)18(14-7-3-4-8-15(14)19)21-11-10-13-6-2-5-9-16(13)21/h2-11,17-18,20,22H,12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol has a molecular weight of 314.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 11688248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).