2-chloro-4-(3-ethylphenyl)aniline

C14H14ClN — CID 107607723

IUPAC2-chloro-4-(3-ethylphenyl)aniline
SMILESCCc1cccc(-c2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C14H14ClN/c1-2-10-4-3-5-11(8-10)12-6-7-14(16)13(15)9-12/h3-9H,2,16H2,1H3
InChIKeyWJFBSLRFOKZOEA-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-4-(3-ethylphenyl)aniline

2-chloro-4-(3-ethylphenyl)aniline (PubChem CID 107607723) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-chloro-4-(3-ethylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(3-ethylphenyl)aniline
PubChem CID107607723
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-chloro-4-(3-ethylphenyl)aniline
SMILESCCc1cccc(-c2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C14H14ClN/c1-2-10-4-3-5-11(8-10)12-6-7-14(16)13(15)9-12/h3-9H,2,16H2,1H3
InChIKeyWJFBSLRFOKZOEA-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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Related Compounds

1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
4-(4-benzylphenyl)-2-chloroaniline
CID 107607804
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(4-amino-3-chlorophenyl)-2-chloroaniline;2-amino-N-(3-ethylphenyl)-3-oxobutanamide;2-amino-3-oxo-N-phenylbutanamide;methanol
CID 145348916
4-(4-aminophenyl)-3-(3-ethylphenyl)aniline
CID 151958387
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757
2-chloro-4-(4-ethoxyphenyl)aniline
CID 107607643
2-chloro-4-(3,4-diethoxyphenyl)aniline
CID 107607652
1-bromo-3-chloro-2-(3-ethylphenyl)benzene
CID 52988182
2,3,5-trichloro-6-(3-ethylphenyl)pyridine
CID 102752691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-ethylphenyl)aniline?
The IUPAC name of 2-chloro-4-(3-ethylphenyl)aniline (CID 107607723) is 2-chloro-4-(3-ethylphenyl)aniline.
What is the SMILES notation for 2-chloro-4-(3-ethylphenyl)aniline?
The canonical SMILES for 2-chloro-4-(3-ethylphenyl)aniline is CCc1cccc(-c2ccc(N)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(3-ethylphenyl)aniline?
The InChIKey is WJFBSLRFOKZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-2-10-4-3-5-11(8-10)12-6-7-14(16)13(15)9-12/h3-9H,2,16H2,1H3.
What are the key properties of 2-chloro-4-(3-ethylphenyl)aniline?
2-chloro-4-(3-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-4-(3-ethylphenyl)aniline is sourced from PubChem (CID 107607723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).