N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine

C18H14ClNO — CID 10582546

IUPACN-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine
SMILESCOc1cc(/C=N/c2ccc(Cl)cc2)c2cccccc1-2
InChIInChI=1S/C18H14ClNO/c1-21-18-11-13(16-5-3-2-4-6-17(16)18)12-20-15-9-7-14(19)8-10-15/h2-12H,1H3/b20-12+
InChIKeyUEGJZMMEQOFTMK-UDWIEESQSA-N
MW295.77 g/mol
LogP5.20
Rot. Bonds3

About N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine

N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine (PubChem CID 10582546) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine
PubChem CID10582546
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC NameN-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine
SMILESCOc1cc(/C=N/c2ccc(Cl)cc2)c2cccccc1-2
InChIInChI=1S/C18H14ClNO/c1-21-18-11-13(16-5-3-2-4-6-17(16)18)12-20-15-9-7-14(19)8-10-15/h2-12H,1H3/b20-12+
InChIKeyUEGJZMMEQOFTMK-UDWIEESQSA-N
XLogP5.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.20
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-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
CID 23856286
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824
[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 1381574
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine
CID 135082909

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine (CID 10582546) is N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine is COc1cc(/C=N/c2ccc(Cl)cc2)c2cccccc1-2.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine?
The InChIKey is UEGJZMMEQOFTMK-UDWIEESQSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-21-18-11-13(16-5-3-2-4-6-17(16)18)12-20-15-9-7-14(19)8-10-15/h2-12H,1H3/b20-12+.
What are the key properties of N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine?
N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine has a molecular weight of 295.77 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine is sourced from PubChem (CID 10582546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).