3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine

C18H29NO2 — CID 107943305

IUPAC3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C18H29NO2/c1-6-9-20-17-14(19)11-16(17)21-15-8-7-12(2)10-13(15)18(3,4)5/h7-8,10,14,16-17H,6,9,11,19H2,1-5H3
InChIKeyNUETYUNLHPTDAS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine

3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943305) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943305
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C18H29NO2/c1-6-9-20-17-14(19)11-16(17)21-15-8-7-12(2)10-13(15)18(3,4)5/h7-8,10,14,16-17H,6,9,11,19H2,1-5H3
InChIKeyNUETYUNLHPTDAS-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943305) is 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is NUETYUNLHPTDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-9-20-17-14(19)11-16(17)21-15-8-7-12(2)10-13(15)18(3,4)5/h7-8,10,14,16-17H,6,9,11,19H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine?
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).