1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine

C20H19FN2 — CID 68556384

IUPAC1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2ccc3ccccc3c2F)c2ccccc2C1
InChIInChI=1S/C20H19FN2/c1-22-12-13-23(18-9-5-3-7-16(18)14-22)19-11-10-15-6-2-4-8-17(15)20(19)21/h2-11H,12-14H2,1H3
InChIKeyHLHNCCNLTPSLOV-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.56
Rot. Bonds1

About 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine

1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 68556384) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
PubChem CID68556384
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2ccc3ccccc3c2F)c2ccccc2C1
InChIInChI=1S/C20H19FN2/c1-22-12-13-23(18-9-5-3-7-16(18)14-22)19-11-10-15-6-2-4-8-17(15)20(19)21/h2-11H,12-14H2,1H3
InChIKeyHLHNCCNLTPSLOV-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-naphthalen-2-ylpiperazine
CID 3044599
N,N-Diethyl-alpha-naphthylamine
CID 66547
1-Naphthalen-2-yl-4-(3-phenyl-propyl)-piperazine
CID 15723887
1-Butyl-4-naphthalen-1-ylpiperazine
CID 20795235
1-[3-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methyl-1,4-diazepane
CID 152660561
Terphenyldiamine, N,N,N',N'-tetraethyl-
CID 148649
N,N-Dimethyl-4-(2-(1-naphthalenyl)diazenyl)benzenamine
CID 11832
1-Methyl-4-(4-phenyl-naphthalen-2-yl)-piperazine
CID 10851915
1-(Biphenyl-2-ylmethyl)-4-(2,3-dimethylphenyl)piperazine
CID 71602641
1,1-Diethyl-4-naphthalen-2-ylpiperazin-1-ium iodide
CID 127041546
N-(1-Naphthyl)-N',N'-diethylethylenediamine
CID 188985
Cambridge id 5457353
CID 2846407

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine (CID 68556384) is 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine is CN1CCN(c2ccc3ccccc3c2F)c2ccccc2C1.
What is the InChIKey of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is HLHNCCNLTPSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-22-12-13-23(18-9-5-3-7-16(18)14-22)19-11-10-15-6-2-4-8-17(15)20(19)21/h2-11H,12-14H2,1H3.
What are the key properties of 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine?
1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 306.38 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 68556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).