N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine

C16H25NO2 — CID 122131910

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine
SMILESCOCc1ccc(CNC(C)C2CCCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(16-4-3-9-19-12-16)17-10-14-5-7-15(8-6-14)11-18-2/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKeyYWQGCLVEEJHZFW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds6

About N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine

N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine (PubChem CID 122131910) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine
PubChem CID122131910
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine
SMILESCOCc1ccc(CNC(C)C2CCCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(16-4-3-9-19-12-16)17-10-14-5-7-15(8-6-14)11-18-2/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKeyYWQGCLVEEJHZFW-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine (CID 122131910) is N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine is COCc1ccc(CNC(C)C2CCCOC2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine?
The InChIKey is YWQGCLVEEJHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(16-4-3-9-19-12-16)17-10-14-5-7-15(8-6-14)11-18-2/h5-8,13,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine?
N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 122131910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).