1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine

C17H27NO3 — CID 103136606

IUPAC1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC1CCC(C)O1
InChIInChI=1S/C17H27NO3/c1-4-19-16-7-5-6-14(10-12(2)18)17(16)20-11-15-9-8-13(3)21-15/h5-7,12-13,15H,4,8-11,18H2,1-3H3
InChIKeyLNTUBUUJQVVBCQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds7

About 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine

1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine (PubChem CID 103136606) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
PubChem CID103136606
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC1CCC(C)O1
InChIInChI=1S/C17H27NO3/c1-4-19-16-7-5-6-14(10-12(2)18)17(16)20-11-15-9-8-13(3)21-15/h5-7,12-13,15H,4,8-11,18H2,1-3H3
InChIKeyLNTUBUUJQVVBCQ-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-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136601
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
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
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
CID 79173898
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine (CID 103136606) is 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine is CCOc1cccc(CC(C)N)c1OCC1CCC(C)O1.
What is the InChIKey of 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is LNTUBUUJQVVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-19-16-7-5-6-14(10-12(2)18)17(16)20-11-15-9-8-13(3)21-15/h5-7,12-13,15H,4,8-11,18H2,1-3H3.
What are the key properties of 1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine?
1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]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-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 103136606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).