2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine

C16H25NO3 — CID 107137083

IUPAC2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
SMILESCCCOc1ccc(CCN)c(OC2CCCOC2)c1
InChIInChI=1S/C16H25NO3/c1-2-9-19-14-6-5-13(7-8-17)16(11-14)20-15-4-3-10-18-12-15/h5-6,11,15H,2-4,7-10,12,17H2,1H3
InChIKeySXTCGDKJVJAFKF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds7

About 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine

2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine (PubChem CID 107137083) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
PubChem CID107137083
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
SMILESCCCOc1ccc(CCN)c(OC2CCCOC2)c1
InChIInChI=1S/C16H25NO3/c1-2-9-19-14-6-5-13(7-8-17)16(11-14)20-15-4-3-10-18-12-15/h5-6,11,15H,2-4,7-10,12,17H2,1H3
InChIKeySXTCGDKJVJAFKF-UHFFFAOYSA-N
XLogP2.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxan-4-yloxy)-4-propoxyphenyl]ethanamine
CID 63936099
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine (CID 107137083) is 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine is CCCOc1ccc(CCN)c(OC2CCCOC2)c1.
What is the InChIKey of 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine?
The InChIKey is SXTCGDKJVJAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-9-19-14-6-5-13(7-8-17)16(11-14)20-15-4-3-10-18-12-15/h5-6,11,15H,2-4,7-10,12,17H2,1H3.
What are the key properties of 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine?
2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine is sourced from PubChem (CID 107137083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).