(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone

C15H20FNO2 — CID 116636460

IUPAC(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCCCCC1CO
InChIInChI=1S/C15H20FNO2/c1-11-6-7-12(16)9-14(11)15(19)17-8-4-2-3-5-13(17)10-18/h6-7,9,13,18H,2-5,8,10H2,1H3
InChIKeyVGWWZEQZVMJYMD-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone

(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116636460) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116636460
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCCCCC1CO
InChIInChI=1S/C15H20FNO2/c1-11-6-7-12(16)9-14(11)15(19)17-8-4-2-3-5-13(17)10-18/h6-7,9,13,18H,2-5,8,10H2,1H3
InChIKeyVGWWZEQZVMJYMD-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79540818
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
[2-(bromomethyl)pyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 80677688
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 65310484
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103295962
[2-(hydroxymethyl)azepan-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 114029406
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116636460) is (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone is Cc1ccc(F)cc1C(=O)N1CCCCCC1CO.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is VGWWZEQZVMJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-6-7-12(16)9-14(11)15(19)17-8-4-2-3-5-13(17)10-18/h6-7,9,13,18H,2-5,8,10H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 265.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116636460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).