2-(2-fluorophenyl)-1-methyl-1,4-diazepane

C12H17FN2 — CID 82395310

IUPAC2-(2-fluorophenyl)-1-methyl-1,4-diazepane
SMILESCN1CCCNCC1c1ccccc1F
InChIInChI=1S/C12H17FN2/c1-15-8-4-7-14-9-12(15)10-5-2-3-6-11(10)13/h2-3,5-6,12,14H,4,7-9H2,1H3
InChIKeyLKFFBJAWAMVKAV-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.79
Rot. Bonds1

About 2-(2-fluorophenyl)-1-methyl-1,4-diazepane

2-(2-fluorophenyl)-1-methyl-1,4-diazepane (PubChem CID 82395310) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-methyl-1,4-diazepane
PubChem CID82395310
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(2-fluorophenyl)-1-methyl-1,4-diazepane
SMILESCN1CCCNCC1c1ccccc1F
InChIInChI=1S/C12H17FN2/c1-15-8-4-7-14-9-12(15)10-5-2-3-6-11(10)13/h2-3,5-6,12,14H,4,7-9H2,1H3
InChIKeyLKFFBJAWAMVKAV-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565927
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166
6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane
CID 81468166
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
(7R)-7-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565899
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
CID 53237372
(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
CID 124565905
(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)piperazin-1-yl]methanone
CID 118016919
2-phenyl-1-propan-2-yl-1,4-diazepane
CID 82242017
3-(2-fluorophenyl)-2-methyl-1,2-oxazolidine
CID 129018500

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-methyl-1,4-diazepane?
The IUPAC name of 2-(2-fluorophenyl)-1-methyl-1,4-diazepane (CID 82395310) is 2-(2-fluorophenyl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 2-(2-fluorophenyl)-1-methyl-1,4-diazepane?
The canonical SMILES for 2-(2-fluorophenyl)-1-methyl-1,4-diazepane is CN1CCCNCC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-methyl-1,4-diazepane?
The InChIKey is LKFFBJAWAMVKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-8-4-7-14-9-12(15)10-5-2-3-6-11(10)13/h2-3,5-6,12,14H,4,7-9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-methyl-1,4-diazepane?
2-(2-fluorophenyl)-1-methyl-1,4-diazepane has a molecular weight of 208.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82395310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).