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

C17H27NO3 — CID 103136601

IUPAC1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OC)c1OCC1CCC(C)O1
InChIInChI=1S/C17H27NO3/c1-4-14(18)10-13-6-5-7-16(19-3)17(13)20-11-15-9-8-12(2)21-15/h5-7,12,14-15H,4,8-11,18H2,1-3H3
InChIKeyVMGYDFXACQTRPX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds7

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

1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 103136601) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID103136601
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OC)c1OCC1CCC(C)O1
InChIInChI=1S/C17H27NO3/c1-4-14(18)10-13-6-5-7-16(19-3)17(13)20-11-15-9-8-12(2)21-15/h5-7,12,14-15H,4,8-11,18H2,1-3H3
InChIKeyVMGYDFXACQTRPX-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-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
1-[3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136595
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586
1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136573
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
CID 112752251
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
1-[3-methoxy-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79172506

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine (CID 103136601) is 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(OC)c1OCC1CCC(C)O1.
What is the InChIKey of 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is VMGYDFXACQTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-14(18)10-13-6-5-7-16(19-3)17(13)20-11-15-9-8-12(2)21-15/h5-7,12,14-15H,4,8-11,18H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-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-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 103136601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).