2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine

C15H23NO2 — CID 65166677

IUPAC2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCOc1ccc(C(C)(N)CCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-15(16,10-9-14-4-3-11-18-14)12-5-7-13(17-2)8-6-12/h5-8,14H,3-4,9-11,16H2,1-2H3
InChIKeyRRRFYBQGAFLDMR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.83
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine

2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65166677) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID65166677
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCOc1ccc(C(C)(N)CCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-15(16,10-9-14-4-3-11-18-14)12-5-7-13(17-2)8-6-12/h5-8,14H,3-4,9-11,16H2,1-2H3
InChIKeyRRRFYBQGAFLDMR-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302
1-(4-methoxyphenyl)-2-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65167305
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
CID 65158211
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine (CID 65166677) is 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine is COc1ccc(C(C)(N)CCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is RRRFYBQGAFLDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(16,10-9-14-4-3-11-18-14)12-5-7-13(17-2)8-6-12/h5-8,14H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine?
2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65166677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).