N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine

C17H17ClFNO2 — CID 126021996

IUPACN-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
SMILESCOc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1OC(C)C
InChIInChI=1S/C17H17ClFNO2/c1-11(2)22-17-12(5-4-6-16(17)21-3)10-20-13-7-8-15(19)14(18)9-13/h4-11H,1-3H3/b20-10+
InChIKeyRBMXTKOHDASSID-KEBDBYFISA-N
MW321.78 g/mol
LogP5.03
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine

N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine (PubChem CID 126021996) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
PubChem CID126021996
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
SMILESCOc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1OC(C)C
InChIInChI=1S/C17H17ClFNO2/c1-11(2)22-17-12(5-4-6-16(17)21-3)10-20-13-7-8-15(19)14(18)9-13/h4-11H,1-3H3/b20-10+
InChIKeyRBMXTKOHDASSID-KEBDBYFISA-N
XLogP5.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.78
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016158
N-[4-[(2S)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016161
5-[[2-[(1S)-1-carboxyethoxy]-3-methoxyphenyl]methylideneamino]-2-chlorobenzoic acid
CID 126238876
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
(2S)-2-[2-methoxy-6-[(3-methylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126247853
(2S)-2-[2-[(3-bromophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126236940
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126247832
4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline
CID 5032689
N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126241546
1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine (CID 126021996) is N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine is COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1OC(C)C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
The InChIKey is RBMXTKOHDASSID-KEBDBYFISA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-11(2)22-17-12(5-4-6-16(17)21-3)10-20-13-7-8-15(19)14(18)9-13/h4-11H,1-3H3/b20-10+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine has a molecular weight of 321.78 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine is sourced from PubChem (CID 126021996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).