2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine

C10H13Cl2NO — CID 86117410

IUPAC2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyBNXYSDPBCNNSJH-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine

2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine (PubChem CID 86117410) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
PubChem CID86117410
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyBNXYSDPBCNNSJH-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride
CID 19869527
2-chloro-4-[2-(dimethylamino)ethoxy]benzenecarbothioamide
CID 62947313
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
CID 11640057
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
3-(3,4-dichlorophenoxy)propanethioamide
CID 61000629
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine (CID 86117410) is 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine is CN(C)CCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine?
The InChIKey is BNXYSDPBCNNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine?
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 86117410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).