[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine

C13H17Cl2NO — CID 43531169

IUPAC[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12H,1-4,8,16H2
InChIKeyDIHIACZIVMQNNF-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.89
Rot. Bonds3

About [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine

[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine (PubChem CID 43531169) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
PubChem CID43531169
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12H,1-4,8,16H2
InChIKeyDIHIACZIVMQNNF-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)cyclopentyl]methanamine
CID 43531164
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
CID 43294102
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
CID 117095540
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 63862858
[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 107882768

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine (CID 43531169) is [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine is NCC1CCCCC1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine?
The InChIKey is DIHIACZIVMQNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12H,1-4,8,16H2.
What are the key properties of [2-(2,4-dichlorophenoxy)cyclohexyl]methanamine?
[2-(2,4-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-(2,4-dichlorophenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43531169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).