1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine

C17H19Cl2NO — CID 106259982

IUPAC1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1CCNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(15-11-14(18)7-8-16(15)19)20-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyYYHFWNUVOIPCFZ-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.90
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine

1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine (PubChem CID 106259982) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
PubChem CID106259982
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1CCNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(15-11-14(18)7-8-16(15)19)20-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyYYHFWNUVOIPCFZ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259694
1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259760
3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol
CID 106259746
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 60924210
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
N-[1-(2,5-dichlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63463879
2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 106345493
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine (CID 106259982) is 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine is COc1ccccc1CCNC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The InChIKey is YYHFWNUVOIPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(15-11-14(18)7-8-16(15)19)20-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 106259982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).