N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline

C15H24N2O2 — CID 63742093

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CC1(CN)CCCOC1
InChIInChI=1S/C15H24N2O2/c1-17(13-6-3-4-7-14(13)18-2)11-15(10-16)8-5-9-19-12-15/h3-4,6-7H,5,8-12,16H2,1-2H3
InChIKeyYBELHWBZVFLSER-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.89
Rot. Bonds5

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline

N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline (PubChem CID 63742093) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
PubChem CID63742093
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CC1(CN)CCCOC1
InChIInChI=1S/C15H24N2O2/c1-17(13-6-3-4-7-14(13)18-2)11-15(10-16)8-5-9-19-12-15/h3-4,6-7H,5,8-12,16H2,1-2H3
InChIKeyYBELHWBZVFLSER-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline (CID 63742093) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline?
The InChIKey is YBELHWBZVFLSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(13-6-3-4-7-14(13)18-2)11-15(10-16)8-5-9-19-12-15/h3-4,6-7H,5,8-12,16H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline has a molecular weight of 264.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 63742093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).