(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol

C19H20Cl2N2O — CID 124826737

IUPAC(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H20Cl2N2O/c1-13(24)9-22-10-14-11-23(19-8-3-2-5-15(14)19)12-16-17(20)6-4-7-18(16)21/h2-8,11,13,22,24H,9-10,12H2,1H3/t13-/m0/s1
InChIKeyUNZOOURCMVUJFL-ZDUSSCGKSA-N
MW363.29 g/mol
LogP4.47
Rot. Bonds6

About (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol

(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol (PubChem CID 124826737) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
PubChem CID124826737
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H20Cl2N2O/c1-13(24)9-22-10-14-11-23(19-8-3-2-5-15(14)19)12-16-17(20)6-4-7-18(16)21/h2-8,11,13,22,24H,9-10,12H2,1H3/t13-/m0/s1
InChIKeyUNZOOURCMVUJFL-ZDUSSCGKSA-N
XLogP4.47
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol (CID 124826737) is (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol is C[C@H](O)CNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The InChIKey is UNZOOURCMVUJFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13(24)9-22-10-14-11-23(19-8-3-2-5-15(14)19)12-16-17(20)6-4-7-18(16)21/h2-8,11,13,22,24H,9-10,12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol has a molecular weight of 363.29 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol is sourced from PubChem (CID 124826737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).