1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol

C13H20ClNO2 — CID 113426386

IUPAC1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-10(9-16)15(2)8-7-13(17)11-5-3-4-6-12(11)14/h3-6,10,13,16-17H,7-9H2,1-2H3
InChIKeyNVYWTRHAYBYOTJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol

1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol (PubChem CID 113426386) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
PubChem CID113426386
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-10(9-16)15(2)8-7-13(17)11-5-3-4-6-12(11)14/h3-6,10,13,16-17H,7-9H2,1-2H3
InChIKeyNVYWTRHAYBYOTJ-UHFFFAOYSA-N
XLogP2.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol (CID 113426386) is 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol is CC(CO)N(C)CCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The InChIKey is NVYWTRHAYBYOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(9-16)15(2)8-7-13(17)11-5-3-4-6-12(11)14/h3-6,10,13,16-17H,7-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol is sourced from PubChem (CID 113426386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).