2-chloro-5-(4-ethylphenyl)aniline

C14H14ClN — CID 62909757

IUPAC2-chloro-5-(4-ethylphenyl)aniline
SMILESCCc1ccc(-c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C14H14ClN/c1-2-10-3-5-11(6-4-10)12-7-8-13(15)14(16)9-12/h3-9H,2,16H2,1H3
InChIKeyXKOSRNBKQVNALZ-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-5-(4-ethylphenyl)aniline

2-chloro-5-(4-ethylphenyl)aniline (PubChem CID 62909757) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(4-ethylphenyl)aniline
PubChem CID62909757
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-chloro-5-(4-ethylphenyl)aniline
SMILESCCc1ccc(-c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C14H14ClN/c1-2-10-3-5-11(6-4-10)12-7-8-13(15)14(16)9-12/h3-9H,2,16H2,1H3
InChIKeyXKOSRNBKQVNALZ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-5-(4-ethylphenyl)aniline?
The IUPAC name of 2-chloro-5-(4-ethylphenyl)aniline (CID 62909757) is 2-chloro-5-(4-ethylphenyl)aniline.
What is the SMILES notation for 2-chloro-5-(4-ethylphenyl)aniline?
The canonical SMILES for 2-chloro-5-(4-ethylphenyl)aniline is CCc1ccc(-c2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of 2-chloro-5-(4-ethylphenyl)aniline?
The InChIKey is XKOSRNBKQVNALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-2-10-3-5-11(6-4-10)12-7-8-13(15)14(16)9-12/h3-9H,2,16H2,1H3.
What are the key properties of 2-chloro-5-(4-ethylphenyl)aniline?
2-chloro-5-(4-ethylphenyl)aniline has a molecular weight of 231.73 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylphenyl)aniline is sourced from PubChem (CID 62909757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).