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

C14H19Cl2NO — CID 43531167

IUPAC[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2NO/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(15)7-12(13)16/h4-5,7,9-10,14H,2-3,6,8,17H2,1H3
InChIKeyFDGSISJESRYVKB-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.14
Rot. Bonds3

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

[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43531167) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43531167
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2NO/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(15)7-12(13)16/h4-5,7,9-10,14H,2-3,6,8,17H2,1H3
InChIKeyFDGSISJESRYVKB-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
CID 43531164
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294041
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 114018893

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine (CID 43531167) is [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Oc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is FDGSISJESRYVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(15)7-12(13)16/h4-5,7,9-10,14H,2-3,6,8,17H2,1H3.
What are the key properties of [2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine?
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 288.22 g/mol, XLogP of 4.14, 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)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43531167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).