N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine

C18H20FNO — CID 23343953

IUPACN-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
SMILESCCC(C)/N=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-3-14(2)20-12-15-6-10-18(11-7-15)21-13-16-4-8-17(19)9-5-16/h4-12,14H,3,13H2,1-2H3/b20-12+
InChIKeyCDUXXJZJWWUIBR-UDWIEESQSA-N
MW285.36 g/mol
LogP4.62
Rot. Bonds6

About N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine

N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine (PubChem CID 23343953) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
PubChem CID23343953
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
SMILESCCC(C)/N=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-3-14(2)20-12-15-6-10-18(11-7-15)21-13-16-4-8-17(19)9-5-16/h4-12,14H,3,13H2,1-2H3/b20-12+
InChIKeyCDUXXJZJWWUIBR-UDWIEESQSA-N
XLogP4.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.62
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

N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343809
N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343872
5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57293388
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3999202
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
CID 169454334
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine (CID 23343953) is N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine is CCC(C)/N=C/c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The InChIKey is CDUXXJZJWWUIBR-UDWIEESQSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-14(2)20-12-15-6-10-18(11-7-15)21-13-16-4-8-17(19)9-5-16/h4-12,14H,3,13H2,1-2H3/b20-12+.
What are the key properties of N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine has a molecular weight of 285.36 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 23343953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).