1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine

C17H27NO3 — CID 62385729

IUPAC1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC1CCOCC1
InChIInChI=1S/C17H27NO3/c1-3-20-16-6-4-5-15(11-13(2)18)17(16)21-12-14-7-9-19-10-8-14/h4-6,13-14H,3,7-12,18H2,1-2H3
InChIKeyPEEQEINWMOWDMQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.78
Rot. Bonds7

About 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine

1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine (PubChem CID 62385729) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
PubChem CID62385729
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC1CCOCC1
InChIInChI=1S/C17H27NO3/c1-3-20-16-6-4-5-15(11-13(2)18)17(16)21-12-14-7-9-19-10-8-14/h4-6,13-14H,3,7-12,18H2,1-2H3
InChIKeyPEEQEINWMOWDMQ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]propan-2-amine
CID 54977250
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine (CID 62385729) is 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine is CCOc1cccc(CC(C)N)c1OCC1CCOCC1.
What is the InChIKey of 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is PEEQEINWMOWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-20-16-6-4-5-15(11-13(2)18)17(16)21-12-14-7-9-19-10-8-14/h4-6,13-14H,3,7-12,18H2,1-2H3.
What are the key properties of 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine?
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62385729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).