2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

C16H17Cl2NO — CID 2247560

IUPAC2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-20-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(17)10-16(13)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyRGYWMSDJQQEXBJ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.33
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 2247560) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID2247560
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-20-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(17)10-16(13)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyRGYWMSDJQQEXBJ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tecalcet
CID 158797
Tecalcet Hydrochloride
CID 158796
(3,4-Dichlorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846345
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
Bis(4-methoxybenzyl)amine
CID 714952
Benzyl[(4-methoxyphenyl)methyl]amine
CID 738564
N-(4-methoxybenzyl)-3-phenyl-2-propen-1-amine hydrochloride
CID 6464138
[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-methoxy-phenyl)-ethyl]-[2-(3,5-dichloro-phenyl)-ethyl]-amine
CID 25056323
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 166628347
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]butan-1-amine
CID 166634151
N-{4-[(2-chlorobenzyl)oxy]benzyl}-N-(3-ethoxypropyl)amine
CID 1814819
2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2096272

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 2247560) is 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is RGYWMSDJQQEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-20-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(17)10-16(13)18/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2247560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).