1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C15H24ClNO4 — CID 106988869

IUPAC1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCNCc1cccc(Cl)c1OCC(O)COC(C)COC
InChIInChI=1S/C15H24ClNO4/c1-11(8-19-3)20-9-13(18)10-21-15-12(7-17-2)5-4-6-14(15)16/h4-6,11,13,17-18H,7-10H2,1-3H3
InChIKeyRWNJXFGTLPYAPS-UHFFFAOYSA-N
MW317.81 g/mol
LogP1.85
Rot. Bonds10

About 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106988869) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106988869
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCNCc1cccc(Cl)c1OCC(O)COC(C)COC
InChIInChI=1S/C15H24ClNO4/c1-11(8-19-3)20-9-13(18)10-21-15-12(7-17-2)5-4-6-14(15)16/h4-6,11,13,17-18H,7-10H2,1-3H3
InChIKeyRWNJXFGTLPYAPS-UHFFFAOYSA-N
XLogP1.85
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156828
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
1-[2-(aminomethyl)-6-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 112607686
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988605
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106988869) is 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol is CNCc1cccc(Cl)c1OCC(O)COC(C)COC.
What is the InChIKey of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is RWNJXFGTLPYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-11(8-19-3)20-9-13(18)10-21-15-12(7-17-2)5-4-6-14(15)16/h4-6,11,13,17-18H,7-10H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 317.81 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106988869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).