1-(2-aminocyclohexyl)-2-phenylethanone

C14H19NO — CID 116579753

IUPAC1-(2-aminocyclohexyl)-2-phenylethanone
SMILESNC1CCCCC1C(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2
InChIKeyAGYMQSFZGZIITP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-phenylethanone

1-(2-aminocyclohexyl)-2-phenylethanone (PubChem CID 116579753) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-phenylethanone
PubChem CID116579753
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-aminocyclohexyl)-2-phenylethanone
SMILESNC1CCCCC1C(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2
InChIKeyAGYMQSFZGZIITP-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
cyclohexanamine;2-phenylacetic acid
CID 70192288
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
1-(2-aminocyclohexyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116580018
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-phenylethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-phenylethanone (CID 116579753) is 1-(2-aminocyclohexyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-phenylethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-phenylethanone is NC1CCCCC1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-phenylethanone?
The InChIKey is AGYMQSFZGZIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2.
What are the key properties of 1-(2-aminocyclohexyl)-2-phenylethanone?
1-(2-aminocyclohexyl)-2-phenylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-phenylethanone is sourced from PubChem (CID 116579753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).