2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine

C13H20ClNO2 — CID 103228050

IUPAC2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H20ClNO2/c1-4-15-8-12(9-16-3)17-11-5-6-13(14)10(2)7-11/h5-7,12,15H,4,8-9H2,1-3H3
InChIKeyAFNJGTWXDQNSLH-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.65
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine

2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103228050) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
PubChem CID103228050
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H20ClNO2/c1-4-15-8-12(9-16-3)17-11-5-6-13(14)10(2)7-11/h5-7,12,15H,4,8-9H2,1-3H3
InChIKeyAFNJGTWXDQNSLH-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 114264334
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228528
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-bromo-2,5-dichlorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 107661071
N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
CID 103228026
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine (CID 103228050) is 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is AFNJGTWXDQNSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-15-8-12(9-16-3)17-11-5-6-13(14)10(2)7-11/h5-7,12,15H,4,8-9H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine?
2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103228050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).