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

C11H16ClNO3 — CID 112607872

IUPAC1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(Cl)cccc1CN
InChIInChI=1S/C11H16ClNO3/c1-15-6-9(14)7-16-11-8(5-13)3-2-4-10(11)12/h2-4,9,14H,5-7,13H2,1H3
InChIKeySDSPYDBCTMZDFF-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.18
Rot. Bonds6

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

1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol (PubChem CID 112607872) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
PubChem CID112607872
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(Cl)cccc1CN
InChIInChI=1S/C11H16ClNO3/c1-15-6-9(14)7-16-11-8(5-13)3-2-4-10(11)12/h2-4,9,14H,5-7,13H2,1H3
InChIKeySDSPYDBCTMZDFF-UHFFFAOYSA-N
XLogP1.18
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
CID 112607693
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-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988869
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
methyl 4-[2-(aminomethyl)-6-chlorophenoxy]butanoate
CID 112607571
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol (CID 112607872) is 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol is COCC(O)COc1c(Cl)cccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol?
The InChIKey is SDSPYDBCTMZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-15-6-9(14)7-16-11-8(5-13)3-2-4-10(11)12/h2-4,9,14H,5-7,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol?
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 1.18, 6 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-methoxypropan-2-ol is sourced from PubChem (CID 112607872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).