2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine

C11H15Cl2NO — CID 116907396

IUPAC2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(CCl)N(C)C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14(2)10(7-12)8-4-5-11(15-3)9(13)6-8/h4-6,10H,7H2,1-3H3
InChIKeyPGQHKFIZUKKSNJ-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine

2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 116907396) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID116907396
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(CCl)N(C)C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14(2)10(7-12)8-4-5-11(15-3)9(13)6-8/h4-6,10H,7H2,1-3H3
InChIKeyPGQHKFIZUKKSNJ-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
2-chloro-1-(2-methoxy-5-methylphenyl)-N,N-dimethylethanamine
CID 116907394
2-N-[2-amino-1-(3-chloro-4-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188224
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
N-[1-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115623649
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(1R)-1-(3-chloro-4-methoxyphenyl)but-3-en-1-amine
CID 170896629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine (CID 116907396) is 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine is COc1ccc(C(CCl)N(C)C)cc1Cl.
What is the InChIKey of 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is PGQHKFIZUKKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-14(2)10(7-12)8-4-5-11(15-3)9(13)6-8/h4-6,10H,7H2,1-3H3.
What are the key properties of 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine?
2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116907396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).