1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol

C12H18ClNO3 — CID 112607693

IUPAC1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1c(Cl)cccc1CN
InChIInChI=1S/C12H18ClNO3/c1-2-16-7-10(15)8-17-12-9(6-14)4-3-5-11(12)13/h3-5,10,15H,2,6-8,14H2,1H3
InChIKeyHYTKCCFCHRHDLI-UHFFFAOYSA-N
MW259.73 g/mol
LogP1.57
Rot. Bonds7

About 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol

1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol (PubChem CID 112607693) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
PubChem CID112607693
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1c(Cl)cccc1CN
InChIInChI=1S/C12H18ClNO3/c1-2-16-7-10(15)8-17-12-9(6-14)4-3-5-11(12)13/h3-5,10,15H,2,6-8,14H2,1H3
InChIKeyHYTKCCFCHRHDLI-UHFFFAOYSA-N
XLogP1.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-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-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
1-[2-(aminomethyl)-6-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 112607686
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
CID 114319870
1-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 63933960
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951901
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol (CID 112607693) is 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol is CCOCC(O)COc1c(Cl)cccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol?
The InChIKey is HYTKCCFCHRHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-2-16-7-10(15)8-17-12-9(6-14)4-3-5-11(12)13/h3-5,10,15H,2,6-8,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol?
1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol has a molecular weight of 259.73 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol is sourced from PubChem (CID 112607693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).