1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine

C17H17ClFNO — CID 88725639

IUPAC1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine
SMILESCCC/N=C(\c1ccccc1F)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H17ClFNO/c1-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21-2/h4-9,11H,3,10H2,1-2H3/b20-17+
InChIKeyRWFDGWYDERFQKQ-LVZFUZTISA-N
MW305.78 g/mol
LogP4.74
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine

1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine (PubChem CID 88725639) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine
PubChem CID88725639
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine
SMILESCCC/N=C(\c1ccccc1F)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H17ClFNO/c1-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21-2/h4-9,11H,3,10H2,1-2H3/b20-17+
InChIKeyRWFDGWYDERFQKQ-LVZFUZTISA-N
XLogP4.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.74
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

(NZ)-N-[(2,5-dichloro-4-methoxyphenyl)-(2-fluorophenyl)methylidene]hydroxylamine
CID 14012586
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
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1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996259
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
1-(2,5-dichlorophenyl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90363445
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene
CID 70323367

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine (CID 88725639) is 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine is CCC/N=C(\c1ccccc1F)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine?
The InChIKey is RWFDGWYDERFQKQ-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21-2/h4-9,11H,3,10H2,1-2H3/b20-17+.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine?
1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine has a molecular weight of 305.78 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)-N-propylmethanimine is sourced from PubChem (CID 88725639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).