(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol

C19H20Cl2N2O — CID 124826792

IUPAC(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C19H20Cl2N2O/c1-13(24)9-22-10-15-12-23(19-5-3-2-4-16(15)19)11-14-6-7-17(20)18(21)8-14/h2-8,12-13,22,24H,9-11H2,1H3/t13-/m1/s1
InChIKeyWEROFSGKCYCCAK-CYBMUJFWSA-N
MW363.29 g/mol
LogP4.47
Rot. Bonds6

About (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol

(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol (PubChem CID 124826792) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
PubChem CID124826792
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C19H20Cl2N2O/c1-13(24)9-22-10-15-12-23(19-5-3-2-4-16(15)19)11-14-6-7-17(20)18(21)8-14/h2-8,12-13,22,24H,9-11H2,1H3/t13-/m1/s1
InChIKeyWEROFSGKCYCCAK-CYBMUJFWSA-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 (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]hexan-1-amine
CID 124826287
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316
(1R)-1-(1-adamantyl)-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124824769
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]adamantan-1-amine
CID 124895823
(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826754
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol (CID 124826792) is (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol is C[C@@H](O)CNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The InChIKey is WEROFSGKCYCCAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13(24)9-22-10-15-12-23(19-5-3-2-4-16(15)19)11-14-6-7-17(20)18(21)8-14/h2-8,12-13,22,24H,9-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
(2R)-1-[[1-[(3,4-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 (2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol is sourced from PubChem (CID 124826792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).