2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol

C13H18ClNO2 — CID 114318587

IUPAC2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol
SMILESNCc1c(Cl)cccc1OC1CCCCC1O
InChIInChI=1S/C13H18ClNO2/c14-10-4-3-7-12(9(10)8-15)17-13-6-2-1-5-11(13)16/h3-4,7,11,13,16H,1-2,5-6,8,15H2
InChIKeyLQXHTZPBVYOHHZ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.48
Rot. Bonds3

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

2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol (PubChem CID 114318587) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol
PubChem CID114318587
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol
SMILESNCc1c(Cl)cccc1OC1CCCCC1O
InChIInChI=1S/C13H18ClNO2/c14-10-4-3-7-12(9(10)8-15)17-13-6-2-1-5-11(13)16/h3-4,7,11,13,16H,1-2,5-6,8,15H2
InChIKeyLQXHTZPBVYOHHZ-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470
2-(bromomethyl)-1-chloro-3-(2-ethylcyclohexyl)oxybenzene
CID 113276992
[2-chloro-6-(1,1-dioxothiolan-3-yl)oxyphenyl]methanamine
CID 113276602
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol (CID 114318587) is 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol is NCc1c(Cl)cccc1OC1CCCCC1O.
What is the InChIKey of 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol?
The InChIKey is LQXHTZPBVYOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-10-4-3-7-12(9(10)8-15)17-13-6-2-1-5-11(13)16/h3-4,7,11,13,16H,1-2,5-6,8,15H2.
What are the key properties of 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol?
2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol has a molecular weight of 255.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol is sourced from PubChem (CID 114318587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).