1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine

C13H21Cl2NO — CID 19018464

IUPAC1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine
SMILESCCNCC.CCOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O.C4H11N/c1-2-12-6-7-3-4-8(10)9(11)5-7;1-3-5-4-2/h3-5H,2,6H2,1H3;5H,3-4H2,1-2H3
InChIKeyZQMKHCZXMZUDMM-UHFFFAOYSA-N
MW278.22 g/mol
LogP4.15
Rot. Bonds5

About 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine

1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine (PubChem CID 19018464) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine.

Molecular Properties

Compound Name1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine
PubChem CID19018464
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine
SMILESCCNCC.CCOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O.C4H11N/c1-2-12-6-7-3-4-8(10)9(11)5-7;1-3-5-4-2/h3-5H,2,6H2,1H3;5H,3-4H2,1-2H3
InChIKeyZQMKHCZXMZUDMM-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole
CID 90749347
(3,4-dichlorophenyl)methyl diethyl phosphate
CID 91622424
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 4719413
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66532143

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine?
The IUPAC name of 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine (CID 19018464) is 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine.
What is the SMILES notation for 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine?
The canonical SMILES for 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine is CCNCC.CCOCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine?
The InChIKey is ZQMKHCZXMZUDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O.C4H11N/c1-2-12-6-7-3-4-8(10)9(11)5-7;1-3-5-4-2/h3-5H,2,6H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine?
1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine has a molecular weight of 278.22 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine is sourced from PubChem (CID 19018464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).