2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine

C12H18ClNO — CID 164836094

IUPAC2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
SMILESCc1cc(Cl)c(C)c(OCCN(C)C)c1
InChIInChI=1S/C12H18ClNO/c1-9-7-11(13)10(2)12(8-9)15-6-5-14(3)4/h7-8H,5-6H2,1-4H3
InChIKeyTZMYVQDZNCLXRK-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.90
Rot. Bonds4

About 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine

2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine (PubChem CID 164836094) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
PubChem CID164836094
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
SMILESCc1cc(Cl)c(C)c(OCCN(C)C)c1
InChIInChI=1S/C12H18ClNO/c1-9-7-11(13)10(2)12(8-9)15-6-5-14(3)4/h7-8H,5-6H2,1-4H3
InChIKeyTZMYVQDZNCLXRK-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
CID 166159167
3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 60667254
2-(2-bromo-6-chloro-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2935678
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde
CID 87737926
2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2184438
2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine
CID 145305221
5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
CID 89324930
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55147973
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
CID 53216473
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine (CID 164836094) is 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine is Cc1cc(Cl)c(C)c(OCCN(C)C)c1.
What is the InChIKey of 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine?
The InChIKey is TZMYVQDZNCLXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9-7-11(13)10(2)12(8-9)15-6-5-14(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine?
2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine has a molecular weight of 227.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 164836094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).