(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone

C14H18FNO — CID 116580026

IUPAC(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)C1CCCCC1N
InChIInChI=1S/C14H18FNO/c1-9-8-10(15)6-7-11(9)14(17)12-4-2-3-5-13(12)16/h6-8,12-13H,2-5,16H2,1H3
InChIKeyXNNLQRJYLAPNBX-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.83
Rot. Bonds2

About (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone

(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 116580026) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID116580026
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)C1CCCCC1N
InChIInChI=1S/C14H18FNO/c1-9-8-10(15)6-7-11(9)14(17)12-4-2-3-5-13(12)16/h6-8,12-13H,2-5,16H2,1H3
InChIKeyXNNLQRJYLAPNBX-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-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
(2-aminocyclohexyl)-(3-fluoro-5-methylphenyl)methanone
CID 116579834
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 116580007
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
CID 65330614
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
2-(4-fluoro-2-methylphenyl)cyclohexan-1-amine
CID 62801431

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone (CID 116580026) is (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)C1CCCCC1N.
What is the InChIKey of (2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is XNNLQRJYLAPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-8-10(15)6-7-11(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)-(4-fluoro-2-methylphenyl)methanone?
(2-aminocyclohexyl)-(4-fluoro-2-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)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116580026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).