N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine

C17H29NO2 — CID 83046479

IUPACN-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccccc1OCC
InChIInChI=1S/C17H29NO2/c1-6-10-14(13-18-17(3,4)5)20-16-12-9-8-11-15(16)19-7-2/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3
InChIKeyCFKRXWHMFZAVEE-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.02
Rot. Bonds8

About N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine

N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine (PubChem CID 83046479) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
PubChem CID83046479
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccccc1OCC
InChIInChI=1S/C17H29NO2/c1-6-10-14(13-18-17(3,4)5)20-16-12-9-8-11-15(16)19-7-2/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3
InChIKeyCFKRXWHMFZAVEE-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine
CID 62451264
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872
N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 62572112
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228403
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine (CID 83046479) is N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine is CCCC(CNC(C)(C)C)Oc1ccccc1OCC.
What is the InChIKey of N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine?
The InChIKey is CFKRXWHMFZAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-14(13-18-17(3,4)5)20-16-12-9-8-11-15(16)19-7-2/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine?
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine is sourced from PubChem (CID 83046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).