3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine

C17H29NO — CID 79628769

IUPAC3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-18-12-17(5,6)13-19-15-11-9-8-10-14(15)16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChIKeyRRXJEOIAZFDBLL-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.00
Rot. Bonds6

About 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine

3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 79628769) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID79628769
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-18-12-17(5,6)13-19-15-11-9-8-10-14(15)16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChIKeyRRXJEOIAZFDBLL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
CID 79627608
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine (CID 79628769) is 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is RRXJEOIAZFDBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-18-12-17(5,6)13-19-15-11-9-8-10-14(15)16(2,3)4/h8-11,18H,7,12-13H2,1-6H3.
What are the key properties of 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79628769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).