N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine

C19H18FN — CID 135032945

IUPACN-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine
SMILESCC(C)(C)/N=C(\C#Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H18FN/c1-19(2,3)21-18(16-11-7-8-12-17(16)20)14-13-15-9-5-4-6-10-15/h4-12H,1-3H3/b21-18+
InChIKeySURAYGAVJWXNAM-DYTRJAOYSA-N
MW279.36 g/mol
LogP4.47
Rot. Bonds1

About N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine

N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine (PubChem CID 135032945) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine.

Molecular Properties

Compound NameN-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine
PubChem CID135032945
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC NameN-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine
SMILESCC(C)(C)/N=C(\C#Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H18FN/c1-19(2,3)21-18(16-11-7-8-12-17(16)20)14-13-15-9-5-4-6-10-15/h4-12H,1-3H3/b21-18+
InChIKeySURAYGAVJWXNAM-DYTRJAOYSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
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2,2-Dimethyl-4,5-diphenyl-2h-imidazole
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Acetophenone azine
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Benzhydrylidene methylamine
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(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
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1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406
1-(4-Fluorophenyl)ethanone [1-(4-fluorophenyl)ethylidene]hydrazone
CID 5394703
3-(4-Fluorophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563838
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine
CID 118955045

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine?
The IUPAC name of N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine (CID 135032945) is N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine.
What is the SMILES notation for N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine?
The canonical SMILES for N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine is CC(C)(C)/N=C(\C#Cc1ccccc1)c1ccccc1F.
What is the InChIKey of N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine?
The InChIKey is SURAYGAVJWXNAM-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-19(2,3)21-18(16-11-7-8-12-17(16)20)14-13-15-9-5-4-6-10-15/h4-12H,1-3H3/b21-18+.
What are the key properties of N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine?
N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine has a molecular weight of 279.36 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine is sourced from PubChem (CID 135032945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).