(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone

C14H18FNO — CID 116579834

IUPAC(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)C2CCCCC2N)c1
InChIInChI=1S/C14H18FNO/c1-9-6-10(8-11(15)7-9)14(17)12-4-2-3-5-13(12)16/h6-8,12-13H,2-5,16H2,1H3
InChIKeyLWAMYFSRHAUVRV-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.83
Rot. Bonds2

About (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone

(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 116579834) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID116579834
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)C2CCCCC2N)c1
InChIInChI=1S/C14H18FNO/c1-9-6-10(8-11(15)7-9)14(17)12-4-2-3-5-13(12)16/h6-8,12-13H,2-5,16H2,1H3
InChIKeyLWAMYFSRHAUVRV-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
(3-fluoro-5-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592049
(3-fluoro-5-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 79704806
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
(3-fluoro-5-methylphenyl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944912
(1,1-dioxothiolan-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 115336304
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone (CID 116579834) is (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)C2CCCCC2N)c1.
What is the InChIKey of (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is LWAMYFSRHAUVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-6-10(8-11(15)7-9)14(17)12-4-2-3-5-13(12)16/h6-8,12-13H,2-5,16H2,1H3.
What are the key properties of (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone?
(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 116579834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).