2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine

C18H31NO2 — CID 63492520

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-8-14(12-19-13(2)3)21-17-10-9-15(20-7)11-16(17)18(4,5)6/h9-11,13-14,19H,8,12H2,1-7H3
InChIKeyYOPHARCQDROTIH-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.15
Rot. Bonds7

About 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine

2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 63492520) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID63492520
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-8-14(12-19-13(2)3)21-17-10-9-15(20-7)11-16(17)18(4,5)6/h9-11,13-14,19H,8,12H2,1-7H3
InChIKeyYOPHARCQDROTIH-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine (CID 63492520) is 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1ccc(OC)cc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is YOPHARCQDROTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-8-14(12-19-13(2)3)21-17-10-9-15(20-7)11-16(17)18(4,5)6/h9-11,13-14,19H,8,12H2,1-7H3.
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine?
2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 63492520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).