2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C15H24ClNO — CID 114242589

IUPAC2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN(C)CCOCCCl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-12-9-13(2)15(14(3)10-12)11-17(4)6-8-18-7-5-16/h9-10H,5-8,11H2,1-4H3
InChIKeyISHKHJOTLPOSOU-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.30
Rot. Bonds7

About 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 114242589) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID114242589
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN(C)CCOCCCl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-12-9-13(2)15(14(3)10-12)11-17(4)6-8-18-7-5-16/h9-10H,5-8,11H2,1-4H3
InChIKeyISHKHJOTLPOSOU-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 63666093
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050
2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 63666306
2-(2-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine
CID 114263776
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 104931875
N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699930
3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 115215720

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 114242589) is 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CN(C)CCOCCCl)c(C)c1.
What is the InChIKey of 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is ISHKHJOTLPOSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12-9-13(2)15(14(3)10-12)11-17(4)6-8-18-7-5-16/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 114242589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).