[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine

C15H23NO2 — CID 116829597

IUPAC[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine
SMILESCOc1ccc(C(C)(C)C)cc1C1(CN)COC1
InChIInChI=1S/C15H23NO2/c1-14(2,3)11-5-6-13(17-4)12(7-11)15(8-16)9-18-10-15/h5-7H,8-10,16H2,1-4H3
InChIKeyKWCFAYNYYAAYEQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds3

About [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine

[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine (PubChem CID 116829597) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine
PubChem CID116829597
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine
SMILESCOc1ccc(C(C)(C)C)cc1C1(CN)COC1
InChIInChI=1S/C15H23NO2/c1-14(2,3)11-5-6-13(17-4)12(7-11)15(8-16)9-18-10-15/h5-7H,8-10,16H2,1-4H3
InChIKeyKWCFAYNYYAAYEQ-UHFFFAOYSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine
CID 116870417
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
CID 139899126
3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane
CID 116876033
4-tert-butyl-2-(1-isocyanatocyclopropyl)-1-methoxybenzene
CID 117365446

Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine (CID 116829597) is [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine is COc1ccc(C(C)(C)C)cc1C1(CN)COC1.
What is the InChIKey of [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine?
The InChIKey is KWCFAYNYYAAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,3)11-5-6-13(17-4)12(7-11)15(8-16)9-18-10-15/h5-7H,8-10,16H2,1-4H3.
What are the key properties of [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine?
[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116829597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).