2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

C17H25NO3 — CID 116579069

IUPAC2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C17H25NO3/c1-20-11-12-21-16-8-4-3-7-14(16)15(19)13-17(18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13,18H2,1H3
InChIKeyKCWGYECREGYENT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.95
Rot. Bonds7

About 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (PubChem CID 116579069) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
PubChem CID116579069
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C17H25NO3/c1-20-11-12-21-16-8-4-3-7-14(16)15(19)13-17(18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13,18H2,1H3
InChIKeyKCWGYECREGYENT-UHFFFAOYSA-N
XLogP2.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (CID 116579069) is 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is COCCOc1ccccc1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The InChIKey is KCWGYECREGYENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-11-12-21-16-8-4-3-7-14(16)15(19)13-17(18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-13,18H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 116579069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).