2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine

C13H20ClNO — CID 63666093

IUPAC2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCOCCCl)cc1
InChIInChI=1S/C13H20ClNO/c1-12-3-5-13(6-4-12)11-15(2)8-10-16-9-7-14/h3-6H,7-11H2,1-2H3
InChIKeyHVSDRIBQIHVSFV-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.68
Rot. Bonds7

About 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine

2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 63666093) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID63666093
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCOCCCl)cc1
InChIInChI=1S/C13H20ClNO/c1-12-3-5-13(6-4-12)11-15(2)8-10-16-9-7-14/h3-6H,7-11H2,1-2H3
InChIKeyHVSDRIBQIHVSFV-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.68
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-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
2-(2-chloroethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 114242574
2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 114242589
N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 114242753
2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 63666306
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine (CID 63666093) is 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CN(C)CCOCCCl)cc1.
What is the InChIKey of 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is HVSDRIBQIHVSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-12-3-5-13(6-4-12)11-15(2)8-10-16-9-7-14/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine?
2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 241.76 g/mol, XLogP of 2.68, 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-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 63666093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).