N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine

C16H27NO2 — CID 62572112

IUPACN-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
SMILESCCOc1ccccc1OC(C)CNC(C)(C)CC
InChIInChI=1S/C16H27NO2/c1-6-16(4,5)17-12-13(3)19-15-11-9-8-10-14(15)18-7-2/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyYISGFUMQIQWVCY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine

N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine (PubChem CID 62572112) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
PubChem CID62572112
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
SMILESCCOc1ccccc1OC(C)CNC(C)(C)CC
InChIInChI=1S/C16H27NO2/c1-6-16(4,5)17-12-13(3)19-15-11-9-8-10-14(15)18-7-2/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyYISGFUMQIQWVCY-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 54852974
N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
CID 62597428
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
2-methyl-N-(2-phenylpropyl)butan-2-amine
CID 17207092
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine (CID 62572112) is N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine is CCOc1ccccc1OC(C)CNC(C)(C)CC.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine?
The InChIKey is YISGFUMQIQWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(4,5)17-12-13(3)19-15-11-9-8-10-14(15)18-7-2/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine?
N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 62572112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).