N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine

C18H29NO2 — CID 107943205

IUPACN-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-6-9-20-18-16(19-5)11-17(18)21-14-7-8-15(12(2)3)13(4)10-14/h7-8,10,12,16-19H,6,9,11H2,1-5H3
InChIKeyBKHBDARNKIRXDU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.65
Rot. Bonds7

About N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine

N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943205) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943205
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-6-9-20-18-16(19-5)11-17(18)21-14-7-8-15(12(2)3)13(4)10-14/h7-8,10,12,16-19H,6,9,11H2,1-5H3
InChIKeyBKHBDARNKIRXDU-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943205) is N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1Oc1ccc(C(C)C)c(C)c1.
What is the InChIKey of N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is BKHBDARNKIRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-9-20-18-16(19-5)11-17(18)21-14-7-8-15(12(2)3)13(4)10-14/h7-8,10,12,16-19H,6,9,11H2,1-5H3.
What are the key properties of N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).