1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine

C18H29NO — CID 46889797

IUPAC1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(CCc2ccc(C(C)(C)C)cc2)COC1
InChIInChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)10-11-18(12-19(4)5)13-20-14-18/h6-9H,10-14H2,1-5H3
InChIKeyILWHWCKHSRVUDA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.49
Rot. Bonds5

About 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine

1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine (PubChem CID 46889797) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine
PubChem CID46889797
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(CCc2ccc(C(C)(C)C)cc2)COC1
InChIInChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)10-11-18(12-19(4)5)13-20-14-18/h6-9H,10-14H2,1-5H3
InChIKeyILWHWCKHSRVUDA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine (CID 46889797) is 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine is CN(C)CC1(CCc2ccc(C(C)(C)C)cc2)COC1.
What is the InChIKey of 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ILWHWCKHSRVUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)10-11-18(12-19(4)5)13-20-14-18/h6-9H,10-14H2,1-5H3.
What are the key properties of 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine?
1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46889797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).