1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol

C13H20ClNO3 — CID 4717439

IUPAC1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
SMILESCCOc1c(Cl)cc(CNCC(C)O)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-4-18-13-11(14)5-10(6-12(13)17-3)8-15-7-9(2)16/h5-6,9,15-16H,4,7-8H2,1-3H3
InChIKeyGMAKJPMXFBVJCV-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.22
Rot. Bonds7

About 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol

1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol (PubChem CID 4717439) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
PubChem CID4717439
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
SMILESCCOc1c(Cl)cc(CNCC(C)O)cc1OC
InChIInChI=1S/C13H20ClNO3/c1-4-18-13-11(14)5-10(6-12(13)17-3)8-15-7-9(2)16/h5-6,9,15-16H,4,7-8H2,1-3H3
InChIKeyGMAKJPMXFBVJCV-UHFFFAOYSA-N
XLogP2.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]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

(2S)-1-[2-[(3-chloro-4,5-diethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 28700914
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716264
(2S)-1-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 7248523
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
CID 4721160
N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63063707
1-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-ol;dihydrochloride
CID 17055939
N'-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215592
(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997160
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717186
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol (CID 4717439) is 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol is CCOc1c(Cl)cc(CNCC(C)O)cc1OC.
What is the InChIKey of 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol?
The InChIKey is GMAKJPMXFBVJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-4-18-13-11(14)5-10(6-12(13)17-3)8-15-7-9(2)16/h5-6,9,15-16H,4,7-8H2,1-3H3.
What are the key properties of 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol?
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol has a molecular weight of 273.76 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 4717439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).