1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine

C17H27NO3 — CID 107137097

IUPAC1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
SMILESCCCOc1ccc(CC(C)N)c(OC2CCCOC2)c1
InChIInChI=1S/C17H27NO3/c1-3-8-20-15-7-6-14(10-13(2)18)17(11-15)21-16-5-4-9-19-12-16/h6-7,11,13,16H,3-5,8-10,12,18H2,1-2H3
InChIKeyHVVVJXAOZPASNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds7

About 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine

1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine (PubChem CID 107137097) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
PubChem CID107137097
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
SMILESCCCOc1ccc(CC(C)N)c(OC2CCCOC2)c1
InChIInChI=1S/C17H27NO3/c1-3-8-20-15-7-6-14(10-13(2)18)17(11-15)21-16-5-4-9-19-12-16/h6-7,11,13,16H,3-5,8-10,12,18H2,1-2H3
InChIKeyHVVVJXAOZPASNT-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
CID 107137083
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
2-[2-(oxan-4-yloxy)-4-propoxyphenyl]ethanamine
CID 63936099
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine (CID 107137097) is 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine is CCCOc1ccc(CC(C)N)c(OC2CCCOC2)c1.
What is the InChIKey of 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine?
The InChIKey is HVVVJXAOZPASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-8-20-15-7-6-14(10-13(2)18)17(11-15)21-16-5-4-9-19-12-16/h6-7,11,13,16H,3-5,8-10,12,18H2,1-2H3.
What are the key properties of 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine?
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine is sourced from PubChem (CID 107137097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).