2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine

C12H17Cl2NO — CID 63666306

IUPAC2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
SMILESCN(CCOCCCl)Cc1ccccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-15(7-9-16-8-6-13)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3
InChIKeyAJLXQZXYPQSQTA-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.03
Rot. Bonds7

About 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine

2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine (PubChem CID 63666306) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
PubChem CID63666306
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
SMILESCN(CCOCCCl)Cc1ccccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-15(7-9-16-8-6-13)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3
InChIKeyAJLXQZXYPQSQTA-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.03
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

5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-(4-bromophenoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 60646418
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine (CID 63666306) is 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine is CN(CCOCCCl)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine?
The InChIKey is AJLXQZXYPQSQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-15(7-9-16-8-6-13)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3.
What are the key properties of 2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine?
2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine has a molecular weight of 262.18 g/mol, XLogP of 3.03, 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-[(2-chlorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 63666306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).