N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine

C16H16ClNO — CID 46881800

IUPACN-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine
SMILESCC(C)=NOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(2)18-19-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11,16H,1-2H3
InChIKeyCDYPEKVYEKUXBR-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.84
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine

N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine (PubChem CID 46881800) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine
PubChem CID46881800
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine
SMILESCC(C)=NOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(2)18-19-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11,16H,1-2H3
InChIKeyCDYPEKVYEKUXBR-UHFFFAOYSA-N
XLogP4.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine (CID 46881800) is N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine is CC(C)=NOC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine?
The InChIKey is CDYPEKVYEKUXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(2)18-19-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11,16H,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine?
N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine has a molecular weight of 273.76 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine is sourced from PubChem (CID 46881800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).