2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline

C16H17Cl2NO2 — CID 43093470

IUPAC2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C16H17Cl2NO2/c1-10(19-15-7-4-11(17)8-14(15)18)13-6-5-12(20-2)9-16(13)21-3/h4-10,19H,1-3H3
InChIKeyBBISZELMXJMBFL-UHFFFAOYSA-N
MW326.22 g/mol
LogP5.18
Rot. Bonds5

About 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline

2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline (PubChem CID 43093470) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
PubChem CID43093470
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C16H17Cl2NO2/c1-10(19-15-7-4-11(17)8-14(15)18)13-6-5-12(20-2)9-16(13)21-3/h4-10,19H,1-3H3
InChIKeyBBISZELMXJMBFL-UHFFFAOYSA-N
XLogP5.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.22
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
CID 107632180
2-chloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-iodoaniline
CID 43788791
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
CID 43733549
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline (CID 43093470) is 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The InChIKey is BBISZELMXJMBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10(19-15-7-4-11(17)8-14(15)18)13-6-5-12(20-2)9-16(13)21-3/h4-10,19H,1-3H3.
What are the key properties of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline has a molecular weight of 326.22 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43093470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).