4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C16H27NO2 — CID 105152237

IUPAC4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)COC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-16(2,3)19-12-14(17-4)9-6-13-7-10-15(18-5)11-8-13/h7-8,10-11,14,17H,6,9,12H2,1-5H3
InChIKeyBXBXKWRRGHIHBS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 105152237) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID105152237
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)COC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-16(2,3)19-12-14(17-4)9-6-13-7-10-15(18-5)11-8-13/h7-8,10-11,14,17H,6,9,12H2,1-5H3
InChIKeyBXBXKWRRGHIHBS-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783
7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine
CID 65443642
4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine
CID 115846590
[6-methoxy-1-(4-methoxyphenyl)-6-methylheptan-3-yl]hydrazine
CID 103026524
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]benzene
CID 155931293
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 105152237) is 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CNC(CCc1ccc(OC)cc1)COC(C)(C)C.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is BXBXKWRRGHIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)19-12-14(17-4)9-6-13-7-10-15(18-5)11-8-13/h7-8,10-11,14,17H,6,9,12H2,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 265.40 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-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 105152237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).