3-(3-chlorophenoxy)-2-ethoxypropan-1-amine

C11H16ClNO2 — CID 63069680

IUPAC3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
SMILESCCOC(CN)COc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-14-11(7-13)8-15-10-5-3-4-9(12)6-10/h3-6,11H,2,7-8,13H2,1H3
InChIKeyXTLCGWQZGDOCKG-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.08
Rot. Bonds6

About 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine

3-(3-chlorophenoxy)-2-ethoxypropan-1-amine (PubChem CID 63069680) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
PubChem CID63069680
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
SMILESCCOC(CN)COc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-2-14-11(7-13)8-15-10-5-3-4-9(12)6-10/h3-6,11H,2,7-8,13H2,1H3
InChIKeyXTLCGWQZGDOCKG-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
CID 63070637
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
3-(4-chloro-2-methylphenoxy)-2-ethoxypropan-1-amine
CID 63069683
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine (CID 63069680) is 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine is CCOC(CN)COc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine?
The InChIKey is XTLCGWQZGDOCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-2-14-11(7-13)8-15-10-5-3-4-9(12)6-10/h3-6,11H,2,7-8,13H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine?
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-2-ethoxypropan-1-amine is sourced from PubChem (CID 63069680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).