1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol

C13H19Cl2NO2 — CID 2846001

IUPAC1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(Cl)c(Cl)c1)CC(C)O
InChIInChI=1S/C13H19Cl2NO2/c1-9(17)6-16(7-10(2)18)8-11-3-4-12(14)13(15)5-11/h3-5,9-10,17-18H,6-8H2,1-2H3
InChIKeyXQRYACUWNGPPFZ-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.56
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol

1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 2846001) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID2846001
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(Cl)c(Cl)c1)CC(C)O
InChIInChI=1S/C13H19Cl2NO2/c1-9(17)6-16(7-10(2)18)8-11-3-4-12(14)13(15)5-11/h3-5,9-10,17-18H,6-8H2,1-2H3
InChIKeyXQRYACUWNGPPFZ-UHFFFAOYSA-N
XLogP2.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986139
[(3,4-dichlorophenyl)methyl-methylcarbamothioyl]azanium
CID 137163213
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol (CID 2846001) is 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(Cc1ccc(Cl)c(Cl)c1)CC(C)O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is XQRYACUWNGPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-9(17)6-16(7-10(2)18)8-11-3-4-12(14)13(15)5-11/h3-5,9-10,17-18H,6-8H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 2846001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).