2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone

C17H25NO2 — CID 106681744

IUPAC2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)16(15(10-12)20-3)14(19)11-17(18)7-5-4-6-8-17/h9-10H,4-8,11,18H2,1-3H3
InChIKeyFUHJBFJBLFQCPK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.55
Rot. Bonds4

About 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone

2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone (PubChem CID 106681744) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
PubChem CID106681744
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)16(15(10-12)20-3)14(19)11-17(18)7-5-4-6-8-17/h9-10H,4-8,11,18H2,1-3H3
InChIKeyFUHJBFJBLFQCPK-UHFFFAOYSA-N
XLogP3.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,7-dimethyl-2-(trichloromethyl)-2,3-dihydro-4H-chromen-4-one
CID 605308
3-Amino-2-(7-amino-1-methoxy-3-methyl-5,8-dioxonaphthalen-2-yl)-5-methoxy-7-methylnaphthalene-1,4-dione
CID 25111917
2-Amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
CID 25112029
(E)-1-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 90655515
1-(2-Methoxy-4,6-dimethylphenyl)ethanone
CID 279976
1-(4-Acetyl-2,5-dimethoxyphenyl)-2-aminopropane
CID 23983771
2-Amino-5,7-dimethyl-2-trifluoromethyl-chroman-4-one
CID 590495
1-[2-Methoxy-6-(1-phenylethenyl)phenyl]ethanone
CID 102281381
8-Methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione
CID 10577044
8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10943275
(3aS,9bR)-6-methoxy-3a,8-dimethyl-1-propan-2-yl-4,9b-dihydro-3H-cyclopenta[a]naphthalen-5-one
CID 11403381
2-Methoxy-4,6-dimethylbenzophenone
CID 12188503

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone (CID 106681744) is 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone is COc1cc(C)cc(C)c1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The InChIKey is FUHJBFJBLFQCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-9-13(2)16(15(10-12)20-3)14(19)11-17(18)7-5-4-6-8-17/h9-10H,4-8,11,18H2,1-3H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106681744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).