1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol

C13H18ClNO2 — CID 112607841

IUPAC1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
SMILESNCc1cccc(Cl)c1OCC1(O)CCCC1
InChIInChI=1S/C13H18ClNO2/c14-11-5-3-4-10(8-15)12(11)17-9-13(16)6-1-2-7-13/h3-5,16H,1-2,6-9,15H2
InChIKeyOZPOPNMZUBVKMI-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.48
Rot. Bonds4

About 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol

1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol (PubChem CID 112607841) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
PubChem CID112607841
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
SMILESNCc1cccc(Cl)c1OCC1(O)CCCC1
InChIInChI=1S/C13H18ClNO2/c14-11-5-3-4-10(8-15)12(11)17-9-13(16)6-1-2-7-13/h3-5,16H,1-2,6-9,15H2
InChIKeyOZPOPNMZUBVKMI-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol
CID 65208540
3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
CID 112611355
1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol
CID 65208696
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208476
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol (CID 112607841) is 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol is NCc1cccc(Cl)c1OCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol?
The InChIKey is OZPOPNMZUBVKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-5-3-4-10(8-15)12(11)17-9-13(16)6-1-2-7-13/h3-5,16H,1-2,6-9,15H2.
What are the key properties of 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol?
1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol has a molecular weight of 255.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 112607841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).