N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine

C17H29NO2 — CID 79621302

IUPACN-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
SMILESCCOc1cccc(OCC(C)(C)CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-19-14-9-8-10-15(11-14)20-13-17(5,6)12-18-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChIKeyHQTUVVGJCNQMCJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.88
Rot. Bonds7

About N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine

N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79621302) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79621302
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
SMILESCCOc1cccc(OCC(C)(C)CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-19-14-9-8-10-15(11-14)20-13-17(5,6)12-18-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChIKeyHQTUVVGJCNQMCJ-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-tert-butyl-3-ethoxyaniline
CID 58745523
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
N-tert-butyl-2,2-dimethyl-3-(4-methylsulfanylphenoxy)propan-1-amine
CID 79628294
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
CID 79626895
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
CID 62772976
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine (CID 79621302) is N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine is CCOc1cccc(OCC(C)(C)CNC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is HQTUVVGJCNQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-19-14-9-8-10-15(11-14)20-13-17(5,6)12-18-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79621302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).