N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine

C18H19ClN2 — CID 12800593

IUPACN'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine
SMILESCC(N=C=NC(C)(C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2/c1-14(15-7-5-4-6-8-15)20-13-21-18(2,3)16-9-11-17(19)12-10-16/h4-12,14H,1-3H3
InChIKeyYJCHQPWRLAIASC-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.51
Rot. Bonds4

About N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine

N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine (PubChem CID 12800593) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine
PubChem CID12800593
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC NameN'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine
SMILESCC(N=C=NC(C)(C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2/c1-14(15-7-5-4-6-8-15)20-13-21-18(2,3)16-9-11-17(19)12-10-16/h4-12,14H,1-3H3
InChIKeyYJCHQPWRLAIASC-UHFFFAOYSA-N
XLogP5.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(2-isocyanatopropan-2-yl)benzene
CID 13118323
[(1S)-1-isocyanatoethyl]benzene
CID 2724173
bis[1-amino-2-(4-chlorophenyl)-1-phenylpropan-2-yl] (Z)-but-2-enedioate
CID 67741749
2,2-dimethyl-N-(1-phenylethyl)propan-1-imine
CID 19708107
2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
CID 43830805
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848
1-chloro-4-(2-methyl-1-phenylpropyl)benzene
CID 22890486
2-amino-1-(4-chlorophenyl)-1-phenylpropan-1-ol;hydrochloride
CID 24834780
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
1-tert-butyl-4-(1-isocyanatoethyl)benzene
CID 83532175
chloromethane;cumene;ethane
CID 160847695
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine?
The IUPAC name of N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine (CID 12800593) is N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine?
The canonical SMILES for N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine is CC(N=C=NC(C)(C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine?
The InChIKey is YJCHQPWRLAIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-14(15-7-5-4-6-8-15)20-13-21-18(2,3)16-9-11-17(19)12-10-16/h4-12,14H,1-3H3.
What are the key properties of N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine?
N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine has a molecular weight of 298.82 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)propan-2-yl]-N-(1-phenylethyl)methanediimine is sourced from PubChem (CID 12800593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).