1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine

C16H27NO — CID 43351797

IUPAC1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)c1cccc(OCC(N)C(C)(C)C)c1
InChIInChI=1S/C16H27NO/c1-15(2,3)12-8-7-9-13(10-12)18-11-14(17)16(4,5)6/h7-10,14H,11,17H2,1-6H3
InChIKeyYSXXODQUPBTSTC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.74
Rot. Bonds3

About 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine

1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine (PubChem CID 43351797) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
PubChem CID43351797
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)c1cccc(OCC(N)C(C)(C)C)c1
InChIInChI=1S/C16H27NO/c1-15(2,3)12-8-7-9-13(10-12)18-11-14(17)16(4,5)6/h7-10,14H,11,17H2,1-6H3
InChIKeyYSXXODQUPBTSTC-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
1-tert-butyl-3-(2-fluoro-3,3-dimethylbutoxy)benzene
CID 170651711
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
CID 64806251
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
3-amino-2-(3-tert-butylphenoxy)-4,4-dimethylpentan-1-ol
CID 114358144

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine (CID 43351797) is 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine is CC(C)(C)c1cccc(OCC(N)C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine?
The InChIKey is YSXXODQUPBTSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)12-8-7-9-13(10-12)18-11-14(17)16(4,5)6/h7-10,14H,11,17H2,1-6H3.
What are the key properties of 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine?
1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 43351797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).