2-chloro-4-(4-ethoxyphenyl)aniline

C14H14ClNO — CID 107607643

IUPAC2-chloro-4-(4-ethoxyphenyl)aniline
SMILESCCOc1ccc(-c2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO/c1-2-17-12-6-3-10(4-7-12)11-5-8-14(16)13(15)9-11/h3-9H,2,16H2,1H3
InChIKeyWBGDHUAVXFTWDR-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-4-(4-ethoxyphenyl)aniline

2-chloro-4-(4-ethoxyphenyl)aniline (PubChem CID 107607643) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-4-(4-ethoxyphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(4-ethoxyphenyl)aniline
PubChem CID107607643
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-4-(4-ethoxyphenyl)aniline
SMILESCCOc1ccc(-c2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO/c1-2-17-12-6-3-10(4-7-12)11-5-8-14(16)13(15)9-11/h3-9H,2,16H2,1H3
InChIKeyWBGDHUAVXFTWDR-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethoxyphenyl)aniline?
The IUPAC name of 2-chloro-4-(4-ethoxyphenyl)aniline (CID 107607643) is 2-chloro-4-(4-ethoxyphenyl)aniline.
What is the SMILES notation for 2-chloro-4-(4-ethoxyphenyl)aniline?
The canonical SMILES for 2-chloro-4-(4-ethoxyphenyl)aniline is CCOc1ccc(-c2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-(4-ethoxyphenyl)aniline?
The InChIKey is WBGDHUAVXFTWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-2-17-12-6-3-10(4-7-12)11-5-8-14(16)13(15)9-11/h3-9H,2,16H2,1H3.
What are the key properties of 2-chloro-4-(4-ethoxyphenyl)aniline?
2-chloro-4-(4-ethoxyphenyl)aniline has a molecular weight of 247.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethoxyphenyl)aniline is sourced from PubChem (CID 107607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).