4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline

C11H15ClN2 — CID 84781395

IUPAC4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(N)CC2)cc1Cl
InChIInChI=1S/C11H15ClN2/c1-14(2)10-4-3-8(7-9(10)12)11(13)5-6-11/h3-4,7H,5-6,13H2,1-2H3
InChIKeyCYMDLQJDMCAJJL-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.35
Rot. Bonds2

About 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline

4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline (PubChem CID 84781395) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline
PubChem CID84781395
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(N)CC2)cc1Cl
InChIInChI=1S/C11H15ClN2/c1-14(2)10-4-3-8(7-9(10)12)11(13)5-6-11/h3-4,7H,5-6,13H2,1-2H3
InChIKeyCYMDLQJDMCAJJL-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline (CID 84781395) is 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline is CN(C)c1ccc(C2(N)CC2)cc1Cl.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline?
The InChIKey is CYMDLQJDMCAJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14(2)10-4-3-8(7-9(10)12)11(13)5-6-11/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline?
4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline has a molecular weight of 210.71 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline is sourced from PubChem (CID 84781395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).