3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine

C15H20Cl3NO — CID 63505530

IUPAC3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl3NO/c1-10-3-2-4-12(7-10)19-5-6-20-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3
InChIKeyUELRIWJQGJYBHP-UHFFFAOYSA-N
MW336.69 g/mol
LogP5.19
Rot. Bonds5

About 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine (PubChem CID 63505530) has the molecular formula C15H20Cl3NO and a molecular weight of 336.69 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
PubChem CID63505530
Molecular FormulaC15H20Cl3NO
Molecular Weight336.69 g/mol
Exact Mass335.06
IUPAC Name3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl3NO/c1-10-3-2-4-12(7-10)19-5-6-20-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3
InChIKeyUELRIWJQGJYBHP-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.69
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
CID 103290276
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 79407747
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 63505531
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142230559
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine (CID 63505530) is 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine is CC1CCCC(NCCOc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine?
The InChIKey is UELRIWJQGJYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3NO/c1-10-3-2-4-12(7-10)19-5-6-20-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3.
What are the key properties of 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine has a molecular weight of 336.69 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63505530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).