3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine

C17H27NO2 — CID 104674749

IUPAC3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H27NO2/c1-10(2)12-7-6-8-13(11(3)4)16(12)20-15-9-14(18)17(15)19-5/h6-8,10-11,14-15,17H,9,18H2,1-5H3
InChIKeyHNSXVYQPZNLZRZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds5

About 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine

3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine (PubChem CID 104674749) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine
PubChem CID104674749
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H27NO2/c1-10(2)12-7-6-8-13(11(3)4)16(12)20-15-9-14(18)17(15)19-5/h6-8,10-11,14-15,17H,9,18H2,1-5H3
InChIKeyHNSXVYQPZNLZRZ-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine (CID 104674749) is 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine is COC1C(N)CC1Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine?
The InChIKey is HNSXVYQPZNLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-10(2)12-7-6-8-13(11(3)4)16(12)20-15-9-14(18)17(15)19-5/h6-8,10-11,14-15,17H,9,18H2,1-5H3.
What are the key properties of 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine?
3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).