3,5-dichloro-N-cyclopropylaniline

C9H9Cl2N — CID 82539878

IUPAC3,5-dichloro-N-cyclopropylaniline
SMILESClc1cc(Cl)cc(NC2CC2)c1
InChIInChI=1S/C9H9Cl2N/c10-6-3-7(11)5-9(4-6)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKeyJSTKKHMYMZDSOJ-UHFFFAOYSA-N
MW202.08 g/mol
LogP3.57
Rot. Bonds2

About 3,5-dichloro-N-cyclopropylaniline

3,5-dichloro-N-cyclopropylaniline (PubChem CID 82539878) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclopropylaniline.

Molecular Properties

Compound Name3,5-dichloro-N-cyclopropylaniline
PubChem CID82539878
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC Name3,5-dichloro-N-cyclopropylaniline
SMILESClc1cc(Cl)cc(NC2CC2)c1
InChIInChI=1S/C9H9Cl2N/c10-6-3-7(11)5-9(4-6)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKeyJSTKKHMYMZDSOJ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclopropylaniline?
The IUPAC name of 3,5-dichloro-N-cyclopropylaniline (CID 82539878) is 3,5-dichloro-N-cyclopropylaniline.
What is the SMILES notation for 3,5-dichloro-N-cyclopropylaniline?
The canonical SMILES for 3,5-dichloro-N-cyclopropylaniline is Clc1cc(Cl)cc(NC2CC2)c1.
What is the InChIKey of 3,5-dichloro-N-cyclopropylaniline?
The InChIKey is JSTKKHMYMZDSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N/c10-6-3-7(11)5-9(4-6)12-8-1-2-8/h3-5,8,12H,1-2H2.
What are the key properties of 3,5-dichloro-N-cyclopropylaniline?
3,5-dichloro-N-cyclopropylaniline has a molecular weight of 202.08 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclopropylaniline is sourced from PubChem (CID 82539878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).