1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine

C17H21NO2 — CID 65352577

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
SMILESCNC(Cc1cccc2ccccc12)C1COCCO1
InChIInChI=1S/C17H21NO2/c1-18-16(17-12-19-9-10-20-17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16-18H,9-12H2,1H3
InChIKeyTZDPLQBLQQLXHH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine

1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine (PubChem CID 65352577) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
PubChem CID65352577
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
SMILESCNC(Cc1cccc2ccccc12)C1COCCO1
InChIInChI=1S/C17H21NO2/c1-18-16(17-12-19-9-10-20-17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16-18H,9-12H2,1H3
InChIKeyTZDPLQBLQQLXHH-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352423
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 65352933
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824368
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
[2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 107312987
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 102868515
(1S)-N-methyl-1-[(2S)-oxiran-2-yl]-2-phenylethanamine
CID 11008481
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine (CID 65352577) is 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine is CNC(Cc1cccc2ccccc12)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine?
The InChIKey is TZDPLQBLQQLXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-16(17-12-19-9-10-20-17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16-18H,9-12H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine?
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 65352577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).