N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine

C19H16FN — CID 139062258

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine
SMILESC[C@@H](/N=C/c1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN/c1-14(16-8-10-19(20)11-9-16)21-13-15-6-7-17-4-2-3-5-18(17)12-15/h2-14H,1H3/b21-13+/t14-/m1/s1
InChIKeyBVWXJHPZAKVYFP-CNRHGSOZSA-N
MW277.34 g/mol
LogP5.16
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine (PubChem CID 139062258) has the molecular formula C19H16FN and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine
PubChem CID139062258
Molecular FormulaC19H16FN
Molecular Weight277.34 g/mol
Exact Mass277.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine
SMILESC[C@@H](/N=C/c1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN/c1-14(16-8-10-19(20)11-9-16)21-13-15-6-7-17-4-2-3-5-18(17)12-15/h2-14H,1H3/b21-13+/t14-/m1/s1
InChIKeyBVWXJHPZAKVYFP-CNRHGSOZSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.34
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-benzylnaphthalene-2-carboximidamide
CID 20706473
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-(3-fluorophenyl)methanimine
CID 118717332
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N'-(2-Fluoro-benzylidene)-N-methyl-N-naphthalen-1-ylmethyl-hydrazine
CID 9579142
N'-(4-Fluoro-benzylidene)-N-methyl-N-naphthalen-1-ylmethyl-hydrazine
CID 9579143
3-(4-Fluorophenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 2732996
(E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-imine
CID 44457596
(1R)-N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708647
(1R)-N-[(2-fluorophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708686
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-(4-fluorophenyl)methanimine
CID 118717299
3-fluoro-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614099
5,8-diphenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 85614111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine (CID 139062258) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine is C[C@@H](/N=C/c1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine?
The InChIKey is BVWXJHPZAKVYFP-CNRHGSOZSA-N. The full InChI is InChI=1S/C19H16FN/c1-14(16-8-10-19(20)11-9-16)21-13-15-6-7-17-4-2-3-5-18(17)12-15/h2-14H,1H3/b21-13+/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine has a molecular weight of 277.34 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 139062258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).