4-(2-aminopropyl)-3-chloroaniline

C9H13ClN2 — CID 10081101

IUPAC4-(2-aminopropyl)-3-chloroaniline
SMILESCC(N)Cc1ccc(N)cc1Cl
InChIInChI=1S/C9H13ClN2/c1-6(11)4-7-2-3-8(12)5-9(7)10/h2-3,5-6H,4,11-12H2,1H3
InChIKeyZCSFQPMTWPMYJC-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.81
Rot. Bonds2

About 4-(2-aminopropyl)-3-chloroaniline

4-(2-aminopropyl)-3-chloroaniline (PubChem CID 10081101) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-chloroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-chloroaniline
PubChem CID10081101
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name4-(2-aminopropyl)-3-chloroaniline
SMILESCC(N)Cc1ccc(N)cc1Cl
InChIInChI=1S/C9H13ClN2/c1-6(11)4-7-2-3-8(12)5-9(7)10/h2-3,5-6H,4,11-12H2,1H3
InChIKeyZCSFQPMTWPMYJC-UHFFFAOYSA-N
XLogP1.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3-chloroaniline?
The IUPAC name of 4-(2-aminopropyl)-3-chloroaniline (CID 10081101) is 4-(2-aminopropyl)-3-chloroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-3-chloroaniline?
The canonical SMILES for 4-(2-aminopropyl)-3-chloroaniline is CC(N)Cc1ccc(N)cc1Cl.
What is the InChIKey of 4-(2-aminopropyl)-3-chloroaniline?
The InChIKey is ZCSFQPMTWPMYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(11)4-7-2-3-8(12)5-9(7)10/h2-3,5-6H,4,11-12H2,1H3.
What are the key properties of 4-(2-aminopropyl)-3-chloroaniline?
4-(2-aminopropyl)-3-chloroaniline has a molecular weight of 184.67 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-chloroaniline is sourced from PubChem (CID 10081101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).