2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine

C13H20ClNO2 — CID 103486931

IUPAC2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-16-9-10(2)17-13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,3,8-9,15H2,1-2H3
InChIKeyATFWTWUKCUTLSC-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine

2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine (PubChem CID 103486931) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
PubChem CID103486931
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-16-9-10(2)17-13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,3,8-9,15H2,1-2H3
InChIKeyATFWTWUKCUTLSC-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 103490153
2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103486985
1-[2-bromo-1-(1-ethoxypropan-2-yloxy)ethyl]-4-fluorobenzene
CID 103490073
2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 103486876
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
1-(2-bromo-1-butan-2-yloxyethyl)-4-chlorobenzene
CID 30612
[1-(4-chlorophenyl)-2-ethoxyethyl]hydrazine
CID 105193288
2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
2-ethoxy-2-(4-propan-2-ylphenyl)ethanamine
CID 66071740
2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 115492276
2-(4-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361887
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine (CID 103486931) is 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine is CCOCC(C)OC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The InChIKey is ATFWTWUKCUTLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-16-9-10(2)17-13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,3,8-9,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine has a molecular weight of 257.76 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine is sourced from PubChem (CID 103486931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).