3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline

C17H20ClNO2 — CID 43102736

IUPAC3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
SMILESCOc1ccc(C(C)Nc2ccc(C)c(Cl)c2)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-11-5-6-13(9-16(11)18)19-12(2)15-8-7-14(20-3)10-17(15)21-4/h5-10,12,19H,1-4H3
InChIKeyDBPJWMHVKXWVFP-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.84
Rot. Bonds5

About 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline

3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline (PubChem CID 43102736) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
PubChem CID43102736
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
SMILESCOc1ccc(C(C)Nc2ccc(C)c(Cl)c2)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-11-5-6-13(9-16(11)18)19-12(2)15-8-7-14(20-3)10-17(15)21-4/h5-10,12,19H,1-4H3
InChIKeyDBPJWMHVKXWVFP-UHFFFAOYSA-N
XLogP4.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194565
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
CID 43194154
N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351681
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126
2-[1-(4-bromo-3-chloroanilino)ethyl]-5-methoxyphenol
CID 107619385
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline (CID 43102736) is 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline is COc1ccc(C(C)Nc2ccc(C)c(Cl)c2)c(OC)c1.
What is the InChIKey of 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline?
The InChIKey is DBPJWMHVKXWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-5-6-13(9-16(11)18)19-12(2)15-8-7-14(20-3)10-17(15)21-4/h5-10,12,19H,1-4H3.
What are the key properties of 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline?
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline has a molecular weight of 305.81 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43102736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).