2-(2-ethoxyphenoxy)pentan-3-amine

C13H21NO2 — CID 16793972

IUPAC2-(2-ethoxyphenoxy)pentan-3-amine
SMILESCCOc1ccccc1OC(C)C(N)CC
InChIInChI=1S/C13H21NO2/c1-4-11(14)10(3)16-13-9-7-6-8-12(13)15-5-2/h6-11H,4-5,14H2,1-3H3
InChIKeyANCUOWSTSUSMBY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds6

About 2-(2-ethoxyphenoxy)pentan-3-amine

2-(2-ethoxyphenoxy)pentan-3-amine (PubChem CID 16793972) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)pentan-3-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)pentan-3-amine
PubChem CID16793972
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-ethoxyphenoxy)pentan-3-amine
SMILESCCOc1ccccc1OC(C)C(N)CC
InChIInChI=1S/C13H21NO2/c1-4-11(14)10(3)16-13-9-7-6-8-12(13)15-5-2/h6-11H,4-5,14H2,1-3H3
InChIKeyANCUOWSTSUSMBY-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
(2-ethoxyphenyl) 2-methylbutanoate
CID 118040361
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate
CID 114282388
2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
2-(2-chloro-4-methylphenoxy)pentan-3-amine
CID 62671098

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)pentan-3-amine?
The IUPAC name of 2-(2-ethoxyphenoxy)pentan-3-amine (CID 16793972) is 2-(2-ethoxyphenoxy)pentan-3-amine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)pentan-3-amine?
The canonical SMILES for 2-(2-ethoxyphenoxy)pentan-3-amine is CCOc1ccccc1OC(C)C(N)CC.
What is the InChIKey of 2-(2-ethoxyphenoxy)pentan-3-amine?
The InChIKey is ANCUOWSTSUSMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-11(14)10(3)16-13-9-7-6-8-12(13)15-5-2/h6-11H,4-5,14H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenoxy)pentan-3-amine?
2-(2-ethoxyphenoxy)pentan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)pentan-3-amine is sourced from PubChem (CID 16793972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).