1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine

C17H19NO2 — CID 114939165

IUPAC1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
SMILESNC(c1ccc2c3c(cccc13)CC2)C1COCCO1
InChIInChI=1S/C17H19NO2/c18-17(15-10-19-8-9-20-15)14-7-6-12-5-4-11-2-1-3-13(14)16(11)12/h1-3,6-7,15,17H,4-5,8-10,18H2
InChIKeyGXOQOJSKJIEVKZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.35
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine

1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine (PubChem CID 114939165) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
PubChem CID114939165
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
SMILESNC(c1ccc2c3c(cccc13)CC2)C1COCCO1
InChIInChI=1S/C17H19NO2/c18-17(15-10-19-8-9-20-15)14-7-6-12-5-4-11-2-1-3-13(14)16(11)12/h1-3,6-7,15,17H,4-5,8-10,18H2
InChIKeyGXOQOJSKJIEVKZ-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
CID 79597276
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114939283
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 114939286
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 115825275
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine (CID 114939165) is 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine is NC(c1ccc2c3c(cccc13)CC2)C1COCCO1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine?
The InChIKey is GXOQOJSKJIEVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-17(15-10-19-8-9-20-15)14-7-6-12-5-4-11-2-1-3-13(14)16(11)12/h1-3,6-7,15,17H,4-5,8-10,18H2.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine?
1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 114939165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).