1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine

C17H19Cl2NO — CID 60924210

IUPAC1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(16-9-15(18)7-8-17(16)19)20-10-13-5-3-4-6-14(13)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyDRESDPJQXWSMAO-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.99
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine

1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 60924210) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID60924210
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(16-9-15(18)7-8-17(16)19)20-10-13-5-3-4-6-14(13)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyDRESDPJQXWSMAO-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
1-(2,5-dichlorophenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110724
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (CID 60924210) is 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine is COCc1ccccc1CNC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is DRESDPJQXWSMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(16-9-15(18)7-8-17(16)19)20-10-13-5-3-4-6-14(13)11-21-2/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 4.99, 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-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 60924210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).