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

C16H18ClNO2 — CID 43194738

IUPAC2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-11(18-15-7-5-4-6-14(15)17)13-9-8-12(19-2)10-16(13)20-3/h4-11,18H,1-3H3
InChIKeyJCCMZSPZBCHFCE-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.53
Rot. Bonds5

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

2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline (PubChem CID 43194738) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
PubChem CID43194738
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-11(18-15-7-5-4-6-14(15)17)13-9-8-12(19-2)10-16(13)20-3/h4-11,18H,1-3H3
InChIKeyJCCMZSPZBCHFCE-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline (CID 43194738) is 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccccc2Cl)c(OC)c1.
What is the InChIKey of 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The InChIKey is JCCMZSPZBCHFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(18-15-7-5-4-6-14(15)17)13-9-8-12(19-2)10-16(13)20-3/h4-11,18H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline has a molecular weight of 291.78 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43194738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).