4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline

C17H20ClNO2 — CID 107620944

IUPAC4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-4-21-16-8-6-5-7-14(16)12(2)19-13-9-10-15(18)17(11-13)20-3/h5-12,19H,4H2,1-3H3
InChIKeyKXWXWOMFDQJUHW-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.92
Rot. Bonds6

About 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline

4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline (PubChem CID 107620944) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
PubChem CID107620944
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-4-21-16-8-6-5-7-14(16)12(2)19-13-9-10-15(18)17(11-13)20-3/h5-12,19H,4H2,1-3H3
InChIKeyKXWXWOMFDQJUHW-UHFFFAOYSA-N
XLogP4.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
N-[1-(2-ethoxyphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196995
2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol
CID 107270535
4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
CID 43192292
N-[1-(2-ethoxyphenyl)ethyl]-4-nitroaniline
CID 43719782
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline (CID 107620944) is 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline is CCOc1ccccc1C(C)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline?
The InChIKey is KXWXWOMFDQJUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-21-16-8-6-5-7-14(16)12(2)19-13-9-10-15(18)17(11-13)20-3/h5-12,19H,4H2,1-3H3.
What are the key properties of 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline?
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline has a molecular weight of 305.81 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 107620944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).