3-(1-aminocyclopropyl)-4-chloroaniline

C9H11ClN2 — CID 84658821

IUPAC3-(1-aminocyclopropyl)-4-chloroaniline
SMILESNc1ccc(Cl)c(C2(N)CC2)c1
InChIInChI=1S/C9H11ClN2/c10-8-2-1-6(11)5-7(8)9(12)3-4-9/h1-2,5H,3-4,11-12H2
InChIKeyWJAFPUOIYJIALF-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.87
Rot. Bonds1

About 3-(1-aminocyclopropyl)-4-chloroaniline

3-(1-aminocyclopropyl)-4-chloroaniline (PubChem CID 84658821) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-4-chloroaniline.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-4-chloroaniline
PubChem CID84658821
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name3-(1-aminocyclopropyl)-4-chloroaniline
SMILESNc1ccc(Cl)c(C2(N)CC2)c1
InChIInChI=1S/C9H11ClN2/c10-8-2-1-6(11)5-7(8)9(12)3-4-9/h1-2,5H,3-4,11-12H2
InChIKeyWJAFPUOIYJIALF-UHFFFAOYSA-N
XLogP1.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.87
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

4-(1-aminocyclopropyl)-3-chloroaniline
CID 123245803
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084168
3,4-dichloroaniline
CID 7257
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine
CID 105394086
bis(4-chlorobenzene-1,3-diamine);hydrate
CID 174419312
3-(5-bromo-2-chlorophenyl)oxetan-3-amine
CID 134828100
1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
CID 55297970
1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
CID 146523834

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-4-chloroaniline?
The IUPAC name of 3-(1-aminocyclopropyl)-4-chloroaniline (CID 84658821) is 3-(1-aminocyclopropyl)-4-chloroaniline.
What is the SMILES notation for 3-(1-aminocyclopropyl)-4-chloroaniline?
The canonical SMILES for 3-(1-aminocyclopropyl)-4-chloroaniline is Nc1ccc(Cl)c(C2(N)CC2)c1.
What is the InChIKey of 3-(1-aminocyclopropyl)-4-chloroaniline?
The InChIKey is WJAFPUOIYJIALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-2-1-6(11)5-7(8)9(12)3-4-9/h1-2,5H,3-4,11-12H2.
What are the key properties of 3-(1-aminocyclopropyl)-4-chloroaniline?
3-(1-aminocyclopropyl)-4-chloroaniline has a molecular weight of 182.65 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-4-chloroaniline is sourced from PubChem (CID 84658821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).