N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine

C18H21FN2O2 — CID 173136655

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
SMILESCON=CC(C)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c1-14(11-21-22-2)20-12-15-6-8-18(9-7-15)23-13-16-4-3-5-17(19)10-16/h3-11,14,20H,12-13H2,1-2H3
InChIKeyJCHVQLHPZCLCKH-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.52
Rot. Bonds8

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine (PubChem CID 173136655) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
PubChem CID173136655
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
SMILESCON=CC(C)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c1-14(11-21-22-2)20-12-15-6-8-18(9-7-15)23-13-16-4-3-5-17(19)10-16/h3-11,14,20H,12-13H2,1-2H3
InChIKeyJCHVQLHPZCLCKH-UHFFFAOYSA-N
XLogP3.52
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
[4-[(3-fluorophenyl)methoxy]phenyl]methyl-[(1E)-1-methoxyiminopropan-2-yl]carbamic acid
CID 87687775
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-(furan-2-yl)acetamide
CID 46223823
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine (CID 173136655) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine is CON=CC(C)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine?
The InChIKey is JCHVQLHPZCLCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-14(11-21-22-2)20-12-15-6-8-18(9-7-15)23-13-16-4-3-5-17(19)10-16/h3-11,14,20H,12-13H2,1-2H3.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine has a molecular weight of 316.38 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine is sourced from PubChem (CID 173136655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).