2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

C17H19Cl2NO — CID 54795837

IUPAC2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCC(C)COc1ccccc1CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(2)11-21-17-6-4-3-5-13(17)10-20-16-8-7-14(18)9-15(16)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyIQFYBMRKODVVPF-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.64
Rot. Bonds6

About 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline

2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 54795837) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID54795837
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCC(C)COc1ccccc1CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(2)11-21-17-6-4-3-5-13(17)10-20-16-8-7-14(18)9-15(16)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyIQFYBMRKODVVPF-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39432274
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[2-(2-methylpropoxy)phenyl]methanamine
CID 54855372
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (CID 54795837) is 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is CC(C)COc1ccccc1CNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is IQFYBMRKODVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(2)11-21-17-6-4-3-5-13(17)10-20-16-8-7-14(18)9-15(16)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 324.25 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54795837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).