1-(4-chlorophenyl)-N-propan-2-ylmethanimine

C10H12ClN — CID 11622447

IUPAC1-(4-chlorophenyl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7+
InChIKeyZOCJZUIYLKHYFJ-KPKJPENVSA-N
MW181.67 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-chlorophenyl)-N-propan-2-ylmethanimine

1-(4-chlorophenyl)-N-propan-2-ylmethanimine (PubChem CID 11622447) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propan-2-ylmethanimine
PubChem CID11622447
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name1-(4-chlorophenyl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7+
InChIKeyZOCJZUIYLKHYFJ-KPKJPENVSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.17
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 1-(4-chlorophenyl)-N-propan-2-ylmethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine (CID 11622447) is 1-(4-chlorophenyl)-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propan-2-ylmethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-propan-2-ylmethanimine is CC(C)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine?
The InChIKey is ZOCJZUIYLKHYFJ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7+.
What are the key properties of 1-(4-chlorophenyl)-N-propan-2-ylmethanimine?
1-(4-chlorophenyl)-N-propan-2-ylmethanimine has a molecular weight of 181.67 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-propan-2-ylmethanimine is sourced from PubChem (CID 11622447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).