(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate

C16H23NO3 — CID 64701200

IUPAC(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
SMILESCOc1ccc(COC(=O)CC2(N)CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-19-14-7-5-13(6-8-14)12-20-15(18)11-16(17)9-3-2-4-10-16/h5-8H,2-4,9-12,17H2,1H3
InChIKeyZQSWDZRZZBLVSZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.79
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate

(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate (PubChem CID 64701200) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
PubChem CID64701200
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
SMILESCOc1ccc(COC(=O)CC2(N)CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-19-14-7-5-13(6-8-14)12-20-15(18)11-16(17)9-3-2-4-10-16/h5-8H,2-4,9-12,17H2,1H3
InChIKeyZQSWDZRZZBLVSZ-UHFFFAOYSA-N
XLogP2.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 82823923
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
CID 159308487
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
CID 18404452
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
2-(1-aminocyclopentyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81363183

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate (CID 64701200) is (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate is COc1ccc(COC(=O)CC2(N)CCCCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate?
The InChIKey is ZQSWDZRZZBLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-7-5-13(6-8-14)12-20-15(18)11-16(17)9-3-2-4-10-16/h5-8H,2-4,9-12,17H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate?
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate has a molecular weight of 277.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate is sourced from PubChem (CID 64701200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).