4-(2-aminoethyl)-2-chloroaniline

C8H11ClN2 — CID 18621974

IUPAC4-(2-aminoethyl)-2-chloroaniline
SMILESNCCc1ccc(N)c(Cl)c1
InChIInChI=1S/C8H11ClN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3-4,10-11H2
InChIKeyIZLLPIALNMBCSR-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.42
Rot. Bonds2

About 4-(2-aminoethyl)-2-chloroaniline

4-(2-aminoethyl)-2-chloroaniline (PubChem CID 18621974) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloroaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloroaniline
PubChem CID18621974
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-(2-aminoethyl)-2-chloroaniline
SMILESNCCc1ccc(N)c(Cl)c1
InChIInChI=1S/C8H11ClN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3-4,10-11H2
InChIKeyIZLLPIALNMBCSR-UHFFFAOYSA-N
XLogP1.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
2-chloro-4-propylaniline
CID 19914844
2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-chloro-4-heptylaniline
CID 21161447
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-(3-chloro-4-ethenylphenyl)ethanamine
CID 130050942
4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
CID 159824858
4-(2-aminoethyl)-2-hydrazinylaniline
CID 143675936
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
2-(4-amino-3-chlorophenyl)acetonitrile
CID 18621878

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloroaniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloroaniline (CID 18621974) is 4-(2-aminoethyl)-2-chloroaniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloroaniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloroaniline is NCCc1ccc(N)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-chloroaniline?
The InChIKey is IZLLPIALNMBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3-4,10-11H2.
What are the key properties of 4-(2-aminoethyl)-2-chloroaniline?
4-(2-aminoethyl)-2-chloroaniline has a molecular weight of 170.64 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloroaniline is sourced from PubChem (CID 18621974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).