2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide

C11H16ClN3 — CID 169369257

IUPAC2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
SMILESCNCCc1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C11H16ClN3/c1-14-7-6-9-2-4-10(5-3-9)15-11(13)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyFHCZKSLUBTVYSI-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.68
Rot. Bonds5

About 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide

2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide (PubChem CID 169369257) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
PubChem CID169369257
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
SMILESCNCCc1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C11H16ClN3/c1-14-7-6-9-2-4-10(5-3-9)15-11(13)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyFHCZKSLUBTVYSI-UHFFFAOYSA-N
XLogP1.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide (CID 169369257) is 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide is CNCCc1ccc(/N=C(/N)CCl)cc1.
What is the InChIKey of 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide?
The InChIKey is FHCZKSLUBTVYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-14-7-6-9-2-4-10(5-3-9)15-11(13)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15).
What are the key properties of 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide?
2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide has a molecular weight of 225.72 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide is sourced from PubChem (CID 169369257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).