4-(1-aminocyclopropyl)-3-chloroaniline

C9H11ClN2 — CID 123245803

IUPAC4-(1-aminocyclopropyl)-3-chloroaniline
SMILESNc1ccc(C2(N)CC2)c(Cl)c1
InChIInChI=1S/C9H11ClN2/c10-8-5-6(11)1-2-7(8)9(12)3-4-9/h1-2,5H,3-4,11-12H2
InChIKeyQIJPRXKZAMBHJV-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.87
Rot. Bonds1

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

4-(1-aminocyclopropyl)-3-chloroaniline (PubChem CID 123245803) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-3-chloroaniline.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-3-chloroaniline
PubChem CID123245803
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-(1-aminocyclopropyl)-3-chloroaniline
SMILESNc1ccc(C2(N)CC2)c(Cl)c1
InChIInChI=1S/C9H11ClN2/c10-8-5-6(11)1-2-7(8)9(12)3-4-9/h1-2,5H,3-4,11-12H2
InChIKeyQIJPRXKZAMBHJV-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

3-(1-aminocyclopropyl)-4-chloroaniline
CID 84658821
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
4-(1-aminocyclopropyl)-3-chlorobenzoic acid
CID 84781989
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
3,4-dichloroaniline
CID 7257
1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
CID 55297970
1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
CID 117356588
1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
CID 102196246
4-(5-azaspiro[2.3]hexan-5-yl)-3-chloroaniline
CID 79688620
1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
CID 84777571
2-(1-aminocyclopropyl)-6-chlorophenol
CID 84732624
1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine
CID 65004014

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-3-chloroaniline?
The IUPAC name of 4-(1-aminocyclopropyl)-3-chloroaniline (CID 123245803) is 4-(1-aminocyclopropyl)-3-chloroaniline.
What is the SMILES notation for 4-(1-aminocyclopropyl)-3-chloroaniline?
The canonical SMILES for 4-(1-aminocyclopropyl)-3-chloroaniline is Nc1ccc(C2(N)CC2)c(Cl)c1.
What is the InChIKey of 4-(1-aminocyclopropyl)-3-chloroaniline?
The InChIKey is QIJPRXKZAMBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-5-6(11)1-2-7(8)9(12)3-4-9/h1-2,5H,3-4,11-12H2.
What are the key properties of 4-(1-aminocyclopropyl)-3-chloroaniline?
4-(1-aminocyclopropyl)-3-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 4-(1-aminocyclopropyl)-3-chloroaniline is sourced from PubChem (CID 123245803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).