1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine

C13H19Cl2NO — CID 64532795

IUPAC1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C(C)OCC
InChIInChI=1S/C13H19Cl2NO/c1-4-16-13(9(3)17-5-2)10-6-7-11(14)12(15)8-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyNWZAWKMTKVFUQK-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.07
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine

1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine (PubChem CID 64532795) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
PubChem CID64532795
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C(C)OCC
InChIInChI=1S/C13H19Cl2NO/c1-4-16-13(9(3)17-5-2)10-6-7-11(14)12(15)8-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyNWZAWKMTKVFUQK-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
2-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 81231185
N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548546
[1-(3,4-dichlorophenyl)-2-ethoxybutyl]hydrazine
CID 105271084
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine (CID 64532795) is 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine is CCNC(c1ccc(Cl)c(Cl)c1)C(C)OCC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine?
The InChIKey is NWZAWKMTKVFUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-4-16-13(9(3)17-5-2)10-6-7-11(14)12(15)8-10/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine?
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine is sourced from PubChem (CID 64532795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).