[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone

C16H23NO3 — CID 116603132

IUPAC[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(CN)CCOCC2)cc1C
InChIInChI=1S/C16H23NO3/c1-11-9-14(19-3)12(2)8-13(11)15(18)16(10-17)4-6-20-7-5-16/h8-9H,4-7,10,17H2,1-3H3
InChIKeyOQYJNXRKQOEZHF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.25
Rot. Bonds4

About [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone

[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 116603132) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID116603132
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(CN)CCOCC2)cc1C
InChIInChI=1S/C16H23NO3/c1-11-9-14(19-3)12(2)8-13(11)15(18)16(10-17)4-6-20-7-5-16/h8-9H,4-7,10,17H2,1-3H3
InChIKeyOQYJNXRKQOEZHF-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
[4-(aminomethyl)oxan-4-yl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756941
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921139
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
1-[4-(aminomethyl)oxan-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116603234
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
[4-(aminomethyl)oxan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 116603183
[3-(aminomethyl)oxetan-3-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116922745
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone (CID 116603132) is [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2(CN)CCOCC2)cc1C.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is OQYJNXRKQOEZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-9-14(19-3)12(2)8-13(11)15(18)16(10-17)4-6-20-7-5-16/h8-9H,4-7,10,17H2,1-3H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone?
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116603132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).