1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol

C12H18ClNO2 — CID 43166207

IUPAC1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H18ClNO2/c1-3-14-7-10(15)8-16-11-4-5-12(13)9(2)6-11/h4-6,10,14-15H,3,7-8H2,1-2H3
InChIKeyPHOKQQBYQCIYTM-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.00
Rot. Bonds6

About 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol (PubChem CID 43166207) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
PubChem CID43166207
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H18ClNO2/c1-3-14-7-10(15)8-16-11-4-5-12(13)9(2)6-11/h4-6,10,14-15H,3,7-8H2,1-2H3
InChIKeyPHOKQQBYQCIYTM-UHFFFAOYSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
1-(4-chloro-3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585716
1-(4-chloro-3-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639947
1-(4-chloro-3-methylphenoxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 62523170
1-(4-chloro-3-methylphenoxy)-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 63966916
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol (CID 43166207) is 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol is CCNCC(O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol?
The InChIKey is PHOKQQBYQCIYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-14-7-10(15)8-16-11-4-5-12(13)9(2)6-11/h4-6,10,14-15H,3,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 43166207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).