N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine

C11H14FNO — CID 145378953

IUPACN-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine
SMILESC=Nc1cc(F)cc(OCC(C)C)c1
InChIInChI=1S/C11H14FNO/c1-8(2)7-14-11-5-9(12)4-10(6-11)13-3/h4-6,8H,3,7H2,1-2H3
InChIKeyUYMOIZWSTTXJQK-UHFFFAOYSA-N
MW195.24 g/mol
LogP3.19
Rot. Bonds4

About N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine

N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine (PubChem CID 145378953) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine
PubChem CID145378953
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine
SMILESC=Nc1cc(F)cc(OCC(C)C)c1
InChIInChI=1S/C11H14FNO/c1-8(2)7-14-11-5-9(12)4-10(6-11)13-3/h4-6,8H,3,7H2,1-2H3
InChIKeyUYMOIZWSTTXJQK-UHFFFAOYSA-N
XLogP3.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 53.19
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

1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
3-(4-fluorophenoxy)-5-(2-methylpropoxy)benzoic acid
CID 66970051
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide
CID 141016614
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
3-chloro-2-fluoro-5-(2-methylpropoxy)benzaldehyde
CID 171368194
4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid
CID 121251625
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110506310
(3,5-difluorophenyl) 2-methylpropyl carbonate
CID 67161652

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine?
The IUPAC name of N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine (CID 145378953) is N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine.
What is the SMILES notation for N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine?
The canonical SMILES for N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine is C=Nc1cc(F)cc(OCC(C)C)c1.
What is the InChIKey of N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine?
The InChIKey is UYMOIZWSTTXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(2)7-14-11-5-9(12)4-10(6-11)13-3/h4-6,8H,3,7H2,1-2H3.
What are the key properties of N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine?
N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine has a molecular weight of 195.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(2-methylpropoxy)phenyl]methanimine is sourced from PubChem (CID 145378953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).