[2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine

C15H17NO3 — CID 82775904

IUPAC[2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc2cc(C3OCC(CN)O3)ccc2c1
InChIInChI=1S/C15H17NO3/c1-17-13-5-4-10-6-12(3-2-11(10)7-13)15-18-9-14(8-16)19-15/h2-7,14-15H,8-9,16H2,1H3
InChIKeyMTCPPLUVHHVUFJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.22
Rot. Bonds3

About [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine

[2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 82775904) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine
PubChem CID82775904
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCOc1ccc2cc(C3OCC(CN)O3)ccc2c1
InChIInChI=1S/C15H17NO3/c1-17-13-5-4-10-6-12(3-2-11(10)7-13)15-18-9-14(8-16)19-15/h2-7,14-15H,8-9,16H2,1H3
InChIKeyMTCPPLUVHHVUFJ-UHFFFAOYSA-N
XLogP2.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine (CID 82775904) is [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine is COc1ccc2cc(C3OCC(CN)O3)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is MTCPPLUVHHVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-13-5-4-10-6-12(3-2-11(10)7-13)15-18-9-14(8-16)19-15/h2-7,14-15H,8-9,16H2,1H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine?
[2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82775904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).