(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone

C14H19NO3 — CID 116604665

IUPAC(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N)CCOCC2)c(C)c1
InChIInChI=1S/C14H19NO3/c1-10-9-11(17-2)3-4-12(10)13(16)14(15)5-7-18-8-6-14/h3-4,9H,5-8,15H2,1-2H3
InChIKeyUVEZYGMEMQQKKO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds3

About (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone

(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone (PubChem CID 116604665) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
PubChem CID116604665
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N)CCOCC2)c(C)c1
InChIInChI=1S/C14H19NO3/c1-10-9-11(17-2)3-4-12(10)13(16)14(15)5-7-18-8-6-14/h3-4,9H,5-8,15H2,1-2H3
InChIKeyUVEZYGMEMQQKKO-UHFFFAOYSA-N
XLogP1.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
2-[(3-aminooxolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411627
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116604587
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone (CID 116604665) is (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)C2(N)CCOCC2)c(C)c1.
What is the InChIKey of (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is UVEZYGMEMQQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-11(17-2)3-4-12(10)13(16)14(15)5-7-18-8-6-14/h3-4,9H,5-8,15H2,1-2H3.
What are the key properties of (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone?
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 116604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).