2-chloro-4-(3,4-diethoxyphenyl)aniline

C16H18ClNO2 — CID 107607652

IUPAC2-chloro-4-(3,4-diethoxyphenyl)aniline
SMILESCCOc1ccc(-c2ccc(N)c(Cl)c2)cc1OCC
InChIInChI=1S/C16H18ClNO2/c1-3-19-15-8-6-12(10-16(15)20-4-2)11-5-7-14(18)13(17)9-11/h5-10H,3-4,18H2,1-2H3
InChIKeyDYTRLNQIHZYNJL-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.39
Rot. Bonds5

About 2-chloro-4-(3,4-diethoxyphenyl)aniline

2-chloro-4-(3,4-diethoxyphenyl)aniline (PubChem CID 107607652) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-4-(3,4-diethoxyphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(3,4-diethoxyphenyl)aniline
PubChem CID107607652
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-4-(3,4-diethoxyphenyl)aniline
SMILESCCOc1ccc(-c2ccc(N)c(Cl)c2)cc1OCC
InChIInChI=1S/C16H18ClNO2/c1-3-19-15-8-6-12(10-16(15)20-4-2)11-5-7-14(18)13(17)9-11/h5-10H,3-4,18H2,1-2H3
InChIKeyDYTRLNQIHZYNJL-UHFFFAOYSA-N
XLogP4.39
TPSA44.48 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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-ethoxyphenyl)aniline
CID 107607643
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
CID 102753063
2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
CID 107663304
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
3,4-diethoxy-2-fluoroaniline
CID 13454492
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179555
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-diethoxyphenyl)aniline?
The IUPAC name of 2-chloro-4-(3,4-diethoxyphenyl)aniline (CID 107607652) is 2-chloro-4-(3,4-diethoxyphenyl)aniline.
What is the SMILES notation for 2-chloro-4-(3,4-diethoxyphenyl)aniline?
The canonical SMILES for 2-chloro-4-(3,4-diethoxyphenyl)aniline is CCOc1ccc(-c2ccc(N)c(Cl)c2)cc1OCC.
What is the InChIKey of 2-chloro-4-(3,4-diethoxyphenyl)aniline?
The InChIKey is DYTRLNQIHZYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-19-15-8-6-12(10-16(15)20-4-2)11-5-7-14(18)13(17)9-11/h5-10H,3-4,18H2,1-2H3.
What are the key properties of 2-chloro-4-(3,4-diethoxyphenyl)aniline?
2-chloro-4-(3,4-diethoxyphenyl)aniline has a molecular weight of 291.78 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-diethoxyphenyl)aniline is sourced from PubChem (CID 107607652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).