1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine

C17H19Cl2NO — CID 70118034

IUPAC1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CNC(C)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-21-14-7-4-6-13(10-14)11-20-12(2)15-8-5-9-16(18)17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyZFPARZNJTUHMBH-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.24
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine

1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 70118034) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
PubChem CID70118034
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CNC(C)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-21-14-7-4-6-13(10-14)11-20-12(2)15-8-5-9-16(18)17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyZFPARZNJTUHMBH-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
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1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
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(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
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N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine (CID 70118034) is 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine is CCOc1cccc(CNC(C)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is ZFPARZNJTUHMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-21-14-7-4-6-13(10-14)11-20-12(2)15-8-5-9-16(18)17(15)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 70118034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).