3-chloro-4,5-diethoxyaniline

C10H14ClNO2 — CID 13335752

IUPAC3-chloro-4,5-diethoxyaniline
SMILESCCOc1cc(N)cc(Cl)c1OCC
InChIInChI=1S/C10H14ClNO2/c1-3-13-9-6-7(12)5-8(11)10(9)14-4-2/h5-6H,3-4,12H2,1-2H3
InChIKeyRNCOILIUSIYDCB-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.72
Rot. Bonds4

About 3-chloro-4,5-diethoxyaniline

3-chloro-4,5-diethoxyaniline (PubChem CID 13335752) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-chloro-4,5-diethoxyaniline.

Molecular Properties

Compound Name3-chloro-4,5-diethoxyaniline
PubChem CID13335752
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-chloro-4,5-diethoxyaniline
SMILESCCOc1cc(N)cc(Cl)c1OCC
InChIInChI=1S/C10H14ClNO2/c1-3-13-9-6-7(12)5-8(11)10(9)14-4-2/h5-6H,3-4,12H2,1-2H3
InChIKeyRNCOILIUSIYDCB-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.72
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

4-amino-2-chloro-6-ethoxyphenol
CID 86120469
3-chloro-4-ethoxy-5-(methoxymethyl)aniline
CID 13335751
3-chloro-4,5-diethoxybenzoate
CID 7326781
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
CID 125116272
4-ethoxynaphthalen-2-amine
CID 57115135
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
(2S)-N-[(3-chloro-4,5-diethoxyphenyl)methyl]butan-2-amine
CID 40726533
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
N'-[(3-chloro-4,5-diethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215598

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-diethoxyaniline?
The IUPAC name of 3-chloro-4,5-diethoxyaniline (CID 13335752) is 3-chloro-4,5-diethoxyaniline.
What is the SMILES notation for 3-chloro-4,5-diethoxyaniline?
The canonical SMILES for 3-chloro-4,5-diethoxyaniline is CCOc1cc(N)cc(Cl)c1OCC.
What is the InChIKey of 3-chloro-4,5-diethoxyaniline?
The InChIKey is RNCOILIUSIYDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-13-9-6-7(12)5-8(11)10(9)14-4-2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 3-chloro-4,5-diethoxyaniline?
3-chloro-4,5-diethoxyaniline has a molecular weight of 215.68 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-diethoxyaniline is sourced from PubChem (CID 13335752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).