[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine

C13H17Cl2NO — CID 43621910

IUPAC[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8,16H2
InChIKeyRHEWAMJDJGNXIT-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.89
Rot. Bonds3

About [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine

[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine (PubChem CID 43621910) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
PubChem CID43621910
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8,16H2
InChIKeyRHEWAMJDJGNXIT-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine
CID 43621914
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
CID 43531164
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
CID 115002126
[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
CID 43294080
[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
CID 117053471
[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentyl]methanamine
CID 82239829
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine (CID 43621910) is [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine is NCC1CCCCC1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine?
The InChIKey is RHEWAMJDJGNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-5-11(15)7-12(6-10)17-13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8,16H2.
What are the key properties of [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine?
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine has a molecular weight of 274.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43621910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).