1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol

C16H26ClNO3 — CID 114941799

IUPAC1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO3/c1-5-21-16(3,4)11-18-9-13(19)10-20-14-6-7-15(17)12(2)8-14/h6-8,13,18-19H,5,9-11H2,1-4H3
InChIKeyFLJOMMCZKMKECJ-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.79
Rot. Bonds9

About 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol (PubChem CID 114941799) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
PubChem CID114941799
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO3/c1-5-21-16(3,4)11-18-9-13(19)10-20-14-6-7-15(17)12(2)8-14/h6-8,13,18-19H,5,9-11H2,1-4H3
InChIKeyFLJOMMCZKMKECJ-UHFFFAOYSA-N
XLogP2.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]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-(ethylamino)propan-2-ol
CID 43166207
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-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 114941993
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756306
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146498
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol (CID 114941799) is 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol is CCOC(C)(C)CNCC(O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol?
The InChIKey is FLJOMMCZKMKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-5-21-16(3,4)11-18-9-13(19)10-20-14-6-7-15(17)12(2)8-14/h6-8,13,18-19H,5,9-11H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol has a molecular weight of 315.84 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 114941799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).