1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine

C19H33NO — CID 63473970

IUPAC1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine
SMILESCCC(COc1ccc(C(C)(C)C)cc1C(C)(C)C)NC
InChIInChI=1S/C19H33NO/c1-9-15(20-8)13-21-17-11-10-14(18(2,3)4)12-16(17)19(5,6)7/h10-12,15,20H,9,13H2,1-8H3
InChIKeyKBSLDMAPFFDXRJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.66
Rot. Bonds5

About 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine

1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine (PubChem CID 63473970) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine
PubChem CID63473970
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine
SMILESCCC(COc1ccc(C(C)(C)C)cc1C(C)(C)C)NC
InChIInChI=1S/C19H33NO/c1-9-15(20-8)13-21-17-11-10-14(18(2,3)4)12-16(17)19(5,6)7/h10-12,15,20H,9,13H2,1-8H3
InChIKeyKBSLDMAPFFDXRJ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-ditert-butylphenoxy)pentan-2-ol
CID 63470439
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene
CID 20728990
2,4-ditert-butyl-1-prop-2-ynoxybenzene
CID 50886344
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-(2-methylpropoxy)aniline
CID 54800070
benzyl-[3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]-dimethylazanium
CID 91670409
1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 45283684
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
(2,4-ditert-butylphenyl) ethanesulfonate
CID 86639499
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine?
The IUPAC name of 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine (CID 63473970) is 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine?
The canonical SMILES for 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine is CCC(COc1ccc(C(C)(C)C)cc1C(C)(C)C)NC.
What is the InChIKey of 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine?
The InChIKey is KBSLDMAPFFDXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-9-15(20-8)13-21-17-11-10-14(18(2,3)4)12-16(17)19(5,6)7/h10-12,15,20H,9,13H2,1-8H3.
What are the key properties of 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine?
1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine is sourced from PubChem (CID 63473970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).