2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine

C17H19Cl2NO — CID 107311964

IUPAC2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-2-9-21-14-7-3-5-12(10-14)16(20)11-13-6-4-8-15(18)17(13)19/h3-8,10,16H,2,9,11,20H2,1H3
InChIKeyWVPZGRDDRUREAL-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.02
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine

2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine (PubChem CID 107311964) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
PubChem CID107311964
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-2-9-21-14-7-3-5-12(10-14)16(20)11-13-6-4-8-15(18)17(13)19/h3-8,10,16H,2,9,11,20H2,1H3
InChIKeyWVPZGRDDRUREAL-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 106866891
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
(1R)-1-[3-[(2,3-dichlorophenyl)methoxy]phenyl]ethanol
CID 107094586
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine (CID 107311964) is 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(N)Cc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine?
The InChIKey is WVPZGRDDRUREAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-2-9-21-14-7-3-5-12(10-14)16(20)11-13-6-4-8-15(18)17(13)19/h3-8,10,16H,2,9,11,20H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine?
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 107311964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).