N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline

C17H19Cl2NO — CID 126120663

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C
InChIInChI=1S/C17H19Cl2NO/c1-4-21-17-13(8-14(18)9-15(17)19)10-20-16-6-5-11(2)7-12(16)3/h5-9,20H,4,10H2,1-3H3
InChIKeyHDVNBXHVJZXZDX-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.62
Rot. Bonds5

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline (PubChem CID 126120663) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
PubChem CID126120663
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C
InChIInChI=1S/C17H19Cl2NO/c1-4-21-17-13(8-14(18)9-15(17)19)10-20-16-6-5-11(2)7-12(16)3/h5-9,20H,4,10H2,1-3H3
InChIKeyHDVNBXHVJZXZDX-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126126336
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
CID 1210744

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline (CID 126120663) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline is CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is HDVNBXHVJZXZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-4-21-17-13(8-14(18)9-15(17)19)10-20-16-6-5-11(2)7-12(16)3/h5-9,20H,4,10H2,1-3H3.
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 324.25 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126120663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).