2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine

C18H29NO — CID 46889795

IUPAC2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1(Cc2ccc(C(C)(C)C)cc2)COC1
InChIInChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)12-18(13-20-14-18)10-11-19(4)5/h6-9H,10-14H2,1-5H3
InChIKeyJZWSTEIPGSUBTH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine

2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine (PubChem CID 46889795) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine
PubChem CID46889795
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1(Cc2ccc(C(C)(C)C)cc2)COC1
InChIInChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)12-18(13-20-14-18)10-11-19(4)5/h6-9H,10-14H2,1-5H3
InChIKeyJZWSTEIPGSUBTH-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 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine (CID 46889795) is 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine is CN(C)CCC1(Cc2ccc(C(C)(C)C)cc2)COC1.
What is the InChIKey of 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine?
The InChIKey is JZWSTEIPGSUBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)12-18(13-20-14-18)10-11-19(4)5/h6-9H,10-14H2,1-5H3.
What are the key properties of 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine?
2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine 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 2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46889795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).