1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine

C17H27NO3 — CID 60907517

IUPAC1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCOc1cccc(CC(N)CC)c1OCC1CCCO1
InChIInChI=1S/C17H27NO3/c1-3-14(18)11-13-7-5-9-16(19-4-2)17(13)21-12-15-8-6-10-20-15/h5,7,9,14-15H,3-4,6,8,10-12,18H2,1-2H3
InChIKeyQMXGCKQQSGAKAM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds8

About 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine

1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60907517) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
PubChem CID60907517
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCOc1cccc(CC(N)CC)c1OCC1CCCO1
InChIInChI=1S/C17H27NO3/c1-3-14(18)11-13-7-5-9-16(19-4-2)17(13)21-12-15-8-6-10-20-15/h5,7,9,14-15H,3-4,6,8,10-12,18H2,1-2H3
InChIKeyQMXGCKQQSGAKAM-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904856
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136601
1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
1-[3-ethoxy-2-(4-methoxybutoxy)phenyl]butan-2-amine
CID 104648823
1-[3-bromo-2-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 61392575

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine (CID 60907517) is 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine is CCOc1cccc(CC(N)CC)c1OCC1CCCO1.
What is the InChIKey of 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is QMXGCKQQSGAKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-14(18)11-13-7-5-9-16(19-4-2)17(13)21-12-15-8-6-10-20-15/h5,7,9,14-15H,3-4,6,8,10-12,18H2,1-2H3.
What are the key properties of 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).