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

C16H25NO2 — CID 65167486

IUPAC1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO2/c1-17-16(7-3-5-15-6-4-12-19-15)13-8-10-14(18-2)11-9-13/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyCIOFRUTUVAAQCG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

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

1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65167486) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65167486
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO2/c1-17-16(7-3-5-15-6-4-12-19-15)13-8-10-14(18-2)11-9-13/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyCIOFRUTUVAAQCG-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
CID 65164718
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
CID 65158211
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
N-methyl-4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-amine
CID 65164208
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993158
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (CID 65167486) is 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is CNC(CCCC1CCCO1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is CIOFRUTUVAAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-16(7-3-5-15-6-4-12-19-15)13-8-10-14(18-2)11-9-13/h8-11,15-17H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65167486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).