N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine

C19H20ClNO — CID 46881759

IUPACN-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine
SMILESClc1ccc(C(ON=C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H20ClNO/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)22-21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10H2
InChIKeyMJWGIJXLBVVMLT-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.77
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine

N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine (PubChem CID 46881759) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine
PubChem CID46881759
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine
SMILESClc1ccc(C(ON=C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H20ClNO/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)22-21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10H2
InChIKeyMJWGIJXLBVVMLT-UHFFFAOYSA-N
XLogP5.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.77
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'}

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
1-(4-Chlorophenyl)-2-methoxy-2-phenyl-1-ethanone oxime
CID 9638292
N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine
CID 3836516
5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
CID 59544929
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562325
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155520170
N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
CID 46881705

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine (CID 46881759) is N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine is Clc1ccc(C(ON=C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine?
The InChIKey is MJWGIJXLBVVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)22-21-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10H2.
What are the key properties of N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine?
N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine has a molecular weight of 313.83 g/mol, XLogP of 5.77, 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]cyclohexanimine is sourced from PubChem (CID 46881759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).