3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine

C18H29NO — CID 46889793

IUPAC3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1
InChIInChI=1S/C18H29NO/c1-17(2,3)15-7-9-16(10-8-15)18(13-20-14-18)11-6-12-19(4)5/h7-10H,6,11-14H2,1-5H3
InChIKeyJBROHYJMMLBPKJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.59
Rot. Bonds5

About 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine

3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 46889793) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID46889793
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1
InChIInChI=1S/C18H29NO/c1-17(2,3)15-7-9-16(10-8-15)18(13-20-14-18)11-6-12-19(4)5/h7-10H,6,11-14H2,1-5H3
InChIKeyJBROHYJMMLBPKJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine (CID 46889793) is 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is JBROHYJMMLBPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)15-7-9-16(10-8-15)18(13-20-14-18)11-6-12-19(4)5/h7-10H,6,11-14H2,1-5H3.
What are the key properties of 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine?
3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)oxetan-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 46889793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).