N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine

C18H21FN2 — CID 135072768

IUPACN-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine
SMILESC/C(=N\N(Cc1cccc(F)c1)C(C)C)c1ccccc1
InChIInChI=1S/C18H21FN2/c1-14(2)21(13-16-8-7-11-18(19)12-16)20-15(3)17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3/b20-15+
InChIKeyBFZVIWHGHTWBJH-HMMYKYKNSA-N
MW284.38 g/mol
LogP4.46
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine

N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine (PubChem CID 135072768) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine
PubChem CID135072768
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine
SMILESC/C(=N\N(Cc1cccc(F)c1)C(C)C)c1ccccc1
InChIInChI=1S/C18H21FN2/c1-14(2)21(13-16-8-7-11-18(19)12-16)20-15(3)17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3/b20-15+
InChIKeyBFZVIWHGHTWBJH-HMMYKYKNSA-N
XLogP4.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(4-Benzyl-piperazin-1-yl)-(4-fluoro-benzylidene)-amine
CID 5342960
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
3-(4-Fluorophenyl)-2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[c]pyrazole
CID 2737842
(4-fluorophenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 2987469
(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)acetonitrile
CID 3544811
2-Methyl-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 275641
(S)-1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44426731
1-Acetyl-5-(4-fluorophenyl)-3-phenyl-2-pyrazoline
CID 2829363
1-[3,5-Bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25145913

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine (CID 135072768) is N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine is C/C(=N\N(Cc1cccc(F)c1)C(C)C)c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine?
The InChIKey is BFZVIWHGHTWBJH-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14(2)21(13-16-8-7-11-18(19)12-16)20-15(3)17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3/b20-15+.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine?
N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine is sourced from PubChem (CID 135072768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).