N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine

C16H16ClN — CID 22603743

IUPACN-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
SMILESC/C(=N\C(C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h3-11,13H,1-2H3/b18-12+
InChIKeyMBBMKEQQQWSERU-LDADJPATSA-N
MW257.76 g/mol
LogP4.91
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine

N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine (PubChem CID 22603743) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
PubChem CID22603743
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
SMILESC/C(=N\C(C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h3-11,13H,1-2H3/b18-12+
InChIKeyMBBMKEQQQWSERU-LDADJPATSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.91
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-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(1-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 3729777
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
CID 64869068
bis(1-(4-methylphenyl)ethanamine);1-(4-methylphenyl)ethanone;bis((1R)-N-[1-(4-methylphenyl)ethyl]-1-phenylethanamine);1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine;(1R)-1-phenylethanamine
CID 159994672
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine (CID 22603743) is N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine is C/C(=N\C(C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine?
The InChIKey is MBBMKEQQQWSERU-LDADJPATSA-N. The full InChI is InChI=1S/C16H16ClN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h3-11,13H,1-2H3/b18-12+.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine?
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine has a molecular weight of 257.76 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine is sourced from PubChem (CID 22603743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).