4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine

C15H24N2O2 — CID 115295391

IUPAC4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
SMILESCOc1ccc(CN(C)CC2(N)CCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(16)7-9-19-10-8-15)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3
InChIKeyOZGVDSTWJMDTQD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds5

About 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine

4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine (PubChem CID 115295391) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
PubChem CID115295391
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
SMILESCOc1ccc(CN(C)CC2(N)CCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(16)7-9-19-10-8-15)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3
InChIKeyOZGVDSTWJMDTQD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65496384
1-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460243
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
The IUPAC name of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine (CID 115295391) is 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine is COc1ccc(CN(C)CC2(N)CCOCC2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
The InChIKey is OZGVDSTWJMDTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(12-15(16)7-9-19-10-8-15)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3.
What are the key properties of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine is sourced from PubChem (CID 115295391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).