3-chloro-4-cyclopropylaniline

C9H10ClN — CID 68786528

IUPAC3-chloro-4-cyclopropylaniline
SMILESNc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C9H10ClN/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2,11H2
InChIKeyCPYMIPAOYNLSBP-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.80
Rot. Bonds1

About 3-chloro-4-cyclopropylaniline

3-chloro-4-cyclopropylaniline (PubChem CID 68786528) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-chloro-4-cyclopropylaniline.

Molecular Properties

Compound Name3-chloro-4-cyclopropylaniline
PubChem CID68786528
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name3-chloro-4-cyclopropylaniline
SMILESNc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C9H10ClN/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2,11H2
InChIKeyCPYMIPAOYNLSBP-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopropylaniline?
The IUPAC name of 3-chloro-4-cyclopropylaniline (CID 68786528) is 3-chloro-4-cyclopropylaniline.
What is the SMILES notation for 3-chloro-4-cyclopropylaniline?
The canonical SMILES for 3-chloro-4-cyclopropylaniline is Nc1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyclopropylaniline?
The InChIKey is CPYMIPAOYNLSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2,11H2.
What are the key properties of 3-chloro-4-cyclopropylaniline?
3-chloro-4-cyclopropylaniline has a molecular weight of 167.64 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopropylaniline is sourced from PubChem (CID 68786528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).