N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine

C21H18ClN — CID 22483010

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
SMILESCC(/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClN/c1-16(20-9-5-6-10-21(20)22)23-15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-16H,1H3/b23-15+
InChIKeyGJCZZDIUEJGJFL-HZHRSRAPSA-N
MW319.84 g/mol
LogP6.19
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine

N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine (PubChem CID 22483010) has the molecular formula C21H18ClN and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
PubChem CID22483010
Molecular FormulaC21H18ClN
Molecular Weight319.84 g/mol
Exact Mass319.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
SMILESCC(/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClN/c1-16(20-9-5-6-10-21(20)22)23-15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-16H,1H3/b23-15+
InChIKeyGJCZZDIUEJGJFL-HZHRSRAPSA-N
XLogP6.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.84
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
CID 22483225
N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
CID 22483401
N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
CID 22483135
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
[(4-phenylphenyl)methylideneamino] hypochlorite
CID 54016863
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483328
1-(1-bromoethyl)-2-chloro-4-phenylbenzene
CID 67619990
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483399

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine (CID 22483010) is N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine is CC(/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine?
The InChIKey is GJCZZDIUEJGJFL-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H18ClN/c1-16(20-9-5-6-10-21(20)22)23-15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-16H,1H3/b23-15+.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine?
N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine has a molecular weight of 319.84 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine is sourced from PubChem (CID 22483010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).