chlorobenzene;N-propan-2-ylmethanimine

C10H14ClN — CID 174869067

IUPACchlorobenzene;N-propan-2-ylmethanimine
SMILESC=NC(C)C.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C4H9N/c7-6-4-2-1-3-5-6;1-4(2)5-3/h1-5H;4H,3H2,1-2H3
InChIKeyNRORIWSWFBLXAR-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.44
Rot. Bonds1

About chlorobenzene;N-propan-2-ylmethanimine

chlorobenzene;N-propan-2-ylmethanimine (PubChem CID 174869067) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is chlorobenzene;N-propan-2-ylmethanimine.

Molecular Properties

Compound Namechlorobenzene;N-propan-2-ylmethanimine
PubChem CID174869067
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Namechlorobenzene;N-propan-2-ylmethanimine
SMILESC=NC(C)C.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C4H9N/c7-6-4-2-1-3-5-6;1-4(2)5-3/h1-5H;4H,3H2,1-2H3
InChIKeyNRORIWSWFBLXAR-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;N-propan-2-ylmethanimine?
The IUPAC name of chlorobenzene;N-propan-2-ylmethanimine (CID 174869067) is chlorobenzene;N-propan-2-ylmethanimine.
What is the SMILES notation for chlorobenzene;N-propan-2-ylmethanimine?
The canonical SMILES for chlorobenzene;N-propan-2-ylmethanimine is C=NC(C)C.Clc1ccccc1.
What is the InChIKey of chlorobenzene;N-propan-2-ylmethanimine?
The InChIKey is NRORIWSWFBLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C4H9N/c7-6-4-2-1-3-5-6;1-4(2)5-3/h1-5H;4H,3H2,1-2H3.
What are the key properties of chlorobenzene;N-propan-2-ylmethanimine?
chlorobenzene;N-propan-2-ylmethanimine has a molecular weight of 183.68 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;N-propan-2-ylmethanimine is sourced from PubChem (CID 174869067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).