3-chloro-2,2-dimethyl-N-phenylpropan-1-imine

C11H14ClN — CID 568808

IUPAC3-chloro-2,2-dimethyl-N-phenylpropan-1-imine
SMILESCC(C)(/C=N/c1ccccc1)CCl
InChIInChI=1S/C11H14ClN/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b13-9+
InChIKeyAZYQFGOUJCOZBN-UKTHLTGXSA-N
MW195.69 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine

3-chloro-2,2-dimethyl-N-phenylpropan-1-imine (PubChem CID 568808) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-phenylpropan-1-imine
PubChem CID568808
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-chloro-2,2-dimethyl-N-phenylpropan-1-imine
SMILESCC(C)(/C=N/c1ccccc1)CCl
InChIInChI=1S/C11H14ClN/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b13-9+
InChIKeyAZYQFGOUJCOZBN-UKTHLTGXSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine (CID 568808) is 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine is CC(C)(/C=N/c1ccccc1)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine?
The InChIKey is AZYQFGOUJCOZBN-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14ClN/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b13-9+.
What are the key properties of 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine?
3-chloro-2,2-dimethyl-N-phenylpropan-1-imine has a molecular weight of 195.69 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-phenylpropan-1-imine is sourced from PubChem (CID 568808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).