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

C16H17Cl2NO — CID 104726046

IUPAC2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
SMILESCCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-3-20-13-6-4-12(5-7-13)10-19-16-9-14(17)11(2)8-15(16)18/h4-9,19H,3,10H2,1-2H3
InChIKeyHMDLIOMQIKCTJD-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.31
Rot. Bonds5

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

2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline (PubChem CID 104726046) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
PubChem CID104726046
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
SMILESCCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-3-20-13-6-4-12(5-7-13)10-19-16-9-14(17)11(2)8-15(16)18/h4-9,19H,3,10H2,1-2H3
InChIKeyHMDLIOMQIKCTJD-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline 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

2,5-dichloro-4-methyl-N-[(4-propoxyphenyl)methyl]aniline
CID 104726150
N-[(4-tert-butylphenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726041
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
4-[(2,5-dichloro-4-methylanilino)methyl]benzoic acid
CID 104726007
2-[4-[(2-bromo-5-chloro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 104722812
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline (CID 104726046) is 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline is CCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline?
The InChIKey is HMDLIOMQIKCTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-20-13-6-4-12(5-7-13)10-19-16-9-14(17)11(2)8-15(16)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline?
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline has a molecular weight of 310.22 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104726046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).