1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine

C16H24ClNO2 — CID 105138600

IUPAC1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)CC1CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-2-18-15(10-13-6-8-19-9-7-13)12-20-16-5-3-4-14(17)11-16/h3-5,11,13,15,18H,2,6-10,12H2,1H3
InChIKeyPYTAXUQAEWIEFV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.51
Rot. Bonds7

About 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine

1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 105138600) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
PubChem CID105138600
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)CC1CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-2-18-15(10-13-6-8-19-9-7-13)12-20-16-5-3-4-14(17)11-16/h3-5,11,13,15,18H,2,6-10,12H2,1H3
InChIKeyPYTAXUQAEWIEFV-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
[2-(3-chlorophenoxy)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105306470
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-(3-chlorophenoxy)-N-ethyl-4-methylsulfonylbutan-2-amine
CID 114984084
1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
4-[2-(3-chlorophenoxy)ethoxy]oxane
CID 172730478

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine (CID 105138600) is 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine is CCNC(COc1cccc(Cl)c1)CC1CCOCC1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is PYTAXUQAEWIEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-18-15(10-13-6-8-19-9-7-13)12-20-16-5-3-4-14(17)11-16/h3-5,11,13,15,18H,2,6-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 105138600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).