3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine

C13H19ClN2 — CID 79351279

IUPAC3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
SMILESCC1(C)C(Nc2c(N)cccc2Cl)C1(C)C
InChIInChI=1S/C13H19ClN2/c1-12(2)11(13(12,3)4)16-10-8(14)6-5-7-9(10)15/h5-7,11,16H,15H2,1-4H3
InChIKeyGPNLETLQGVBSMY-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.77
Rot. Bonds2

About 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine

3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine (PubChem CID 79351279) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
PubChem CID79351279
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
SMILESCC1(C)C(Nc2c(N)cccc2Cl)C1(C)C
InChIInChI=1S/C13H19ClN2/c1-12(2)11(13(12,3)4)16-10-8(14)6-5-7-9(10)15/h5-7,11,16H,15H2,1-4H3
InChIKeyGPNLETLQGVBSMY-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.77
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 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine (CID 79351279) is 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine is CC1(C)C(Nc2c(N)cccc2Cl)C1(C)C.
What is the InChIKey of 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
The InChIKey is GPNLETLQGVBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-12(2)11(13(12,3)4)16-10-8(14)6-5-7-9(10)15/h5-7,11,16H,15H2,1-4H3.
What are the key properties of 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine?
3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine is sourced from PubChem (CID 79351279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).