1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

C14H21NO3 — CID 81102296

IUPAC1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCC1CCOCO1
InChIInChI=1S/C14H21NO3/c1-16-10-13-5-3-2-4-12(13)8-15-9-14-6-7-17-11-18-14/h2-5,14-15H,6-11H2,1H3
InChIKeyZNLSKNLIFXZHSH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.69
Rot. Bonds6

About 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (PubChem CID 81102296) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
PubChem CID81102296
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCC1CCOCO1
InChIInChI=1S/C14H21NO3/c1-16-10-13-5-3-2-4-12(13)8-15-9-14-6-7-17-11-18-14/h2-5,14-15H,6-11H2,1H3
InChIKeyZNLSKNLIFXZHSH-UHFFFAOYSA-N
XLogP1.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(1,3-dioxan-4-yl)methanamine
CID 81102425
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
1-(1,3-dioxan-4-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 81101193
1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371533
1-(1,3-dioxan-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81101919

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (CID 81102296) is 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is COCc1ccccc1CNCC1CCOCO1.
What is the InChIKey of 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The InChIKey is ZNLSKNLIFXZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-10-13-5-3-2-4-12(13)8-15-9-14-6-7-17-11-18-14/h2-5,14-15H,6-11H2,1H3.
What are the key properties of 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 81102296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).