4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine

C17H27NO2 — CID 115846590

IUPAC4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)CC1CCOCC1
InChIInChI=1S/C17H27NO2/c1-18-16(13-15-9-11-20-12-10-15)6-3-14-4-7-17(19-2)8-5-14/h4-5,7-8,15-16,18H,3,6,9-13H2,1-2H3
InChIKeyYAOFITFDUWUFLE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine

4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine (PubChem CID 115846590) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine
PubChem CID115846590
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)CC1CCOCC1
InChIInChI=1S/C17H27NO2/c1-18-16(13-15-9-11-20-12-10-15)6-3-14-4-7-17(19-2)8-5-14/h4-5,7-8,15-16,18H,3,6,9-13H2,1-2H3
InChIKeyYAOFITFDUWUFLE-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
CID 105138690
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105152237
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
2-[2-(4-methoxyphenyl)ethyl]-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine
CID 110027185
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine (CID 115846590) is 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine is CNC(CCc1ccc(OC)cc1)CC1CCOCC1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine?
The InChIKey is YAOFITFDUWUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18-16(13-15-9-11-20-12-10-15)6-3-14-4-7-17(19-2)8-5-14/h4-5,7-8,15-16,18H,3,6,9-13H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine?
4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 115846590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).