1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol

C15H24ClNO2 — CID 110909172

IUPAC1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
SMILESCC(C)CN(C)CC(O)COCc1ccccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-12(2)8-17(3)9-14(18)11-19-10-13-6-4-5-7-15(13)16/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyKCEYJHQPLQNZIH-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.81
Rot. Bonds8

About 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol (PubChem CID 110909172) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
PubChem CID110909172
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
SMILESCC(C)CN(C)CC(O)COCc1ccccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-12(2)8-17(3)9-14(18)11-19-10-13-6-4-5-7-15(13)16/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyKCEYJHQPLQNZIH-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 2532709
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
CID 7830770
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-5-methylhexane-2,5-diol
CID 70569257
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
CID 40654769
(2S)-1-[(2-chlorophenyl)methoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2124096
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
3-[(2-chlorophenyl)methoxy]-2-methylpropanethioamide
CID 43368486

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol (CID 110909172) is 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol is CC(C)CN(C)CC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol?
The InChIKey is KCEYJHQPLQNZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-12(2)8-17(3)9-14(18)11-19-10-13-6-4-5-7-15(13)16/h4-7,12,14,18H,8-11H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol has a molecular weight of 285.81 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 110909172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).