1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine

C16H19NO3 — CID 62798863

IUPAC1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)C2COCCO2)c2ccccc12
InChIInChI=1S/C16H19NO3/c1-18-14-7-6-13(11-4-2-3-5-12(11)14)16(17)15-10-19-8-9-20-15/h2-7,15-16H,8-10,17H2,1H3
InChIKeyVVRDBSXRWVUSHS-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.26
Rot. Bonds3

About 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine

1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine (PubChem CID 62798863) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
PubChem CID62798863
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)C2COCCO2)c2ccccc12
InChIInChI=1S/C16H19NO3/c1-18-14-7-6-13(11-4-2-3-5-12(11)14)16(17)15-10-19-8-9-20-15/h2-7,15-16H,8-10,17H2,1H3
InChIKeyVVRDBSXRWVUSHS-UHFFFAOYSA-N
XLogP2.26
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
CID 79597276
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
CID 114939165
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211
(2-chloro-4,5-dimethylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 113319410
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine (CID 62798863) is 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine is COc1ccc(C(N)C2COCCO2)c2ccccc12.
What is the InChIKey of 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine?
The InChIKey is VVRDBSXRWVUSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-7-6-13(11-4-2-3-5-12(11)14)16(17)15-10-19-8-9-20-15/h2-7,15-16H,8-10,17H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine?
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 62798863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).