N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine

C19H22N2 — CID 90443817

IUPACN-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
SMILESCC(C)=Nc1ccc(Cc2ccc(N=C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2/c1-14(2)20-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)21-15(3)4/h5-12H,13H2,1-4H3
InChIKeyMTHBBRBTXRAZDG-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.50
Rot. Bonds4

About N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine

N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine (PubChem CID 90443817) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine.

Molecular Properties

Compound NameN-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
PubChem CID90443817
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
SMILESCC(C)=Nc1ccc(Cc2ccc(N=C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2/c1-14(2)20-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)21-15(3)4/h5-12H,13H2,1-4H3
InChIKeyMTHBBRBTXRAZDG-UHFFFAOYSA-N
XLogP5.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine?
The IUPAC name of N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine (CID 90443817) is N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine.
What is the SMILES notation for N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine?
The canonical SMILES for N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine is CC(C)=Nc1ccc(Cc2ccc(N=C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine?
The InChIKey is MTHBBRBTXRAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14(2)20-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)21-15(3)4/h5-12H,13H2,1-4H3.
What are the key properties of N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine?
N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine has a molecular weight of 278.40 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine is sourced from PubChem (CID 90443817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).