2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine

C17H25Cl2NO — CID 142230559

IUPAC2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCc1cc(Cl)cc(Cl)c1OCCNCC1CCC(C)CC1
InChIInChI=1S/C17H25Cl2NO/c1-12-3-5-14(6-4-12)11-20-7-8-21-17-13(2)9-15(18)10-16(17)19/h9-10,12,14,20H,3-8,11H2,1-2H3
InChIKeyPTOUEWFIOABIRE-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.10
Rot. Bonds6

About 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine

2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 142230559) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID142230559
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCc1cc(Cl)cc(Cl)c1OCCNCC1CCC(C)CC1
InChIInChI=1S/C17H25Cl2NO/c1-12-3-5-14(6-4-12)11-20-7-8-21-17-13(2)9-15(18)10-16(17)19/h9-10,12,14,20H,3-8,11H2,1-2H3
InChIKeyPTOUEWFIOABIRE-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.10
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 142230559) is 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine is Cc1cc(Cl)cc(Cl)c1OCCNCC1CCC(C)CC1.
What is the InChIKey of 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is PTOUEWFIOABIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-12-3-5-14(6-4-12)11-20-7-8-21-17-13(2)9-15(18)10-16(17)19/h9-10,12,14,20H,3-8,11H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 330.30 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 142230559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).