1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine

C16H25NO4 — CID 60906720

IUPAC1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1OCC1CCCO1
InChIInChI=1S/C16H25NO4/c1-11(17)7-12-8-14(18-2)16(15(9-12)19-3)21-10-13-5-4-6-20-13/h8-9,11,13H,4-7,10,17H2,1-3H3
InChIKeyFLTBDVYGTLHWAR-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.15
Rot. Bonds7

About 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine

1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 60906720) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID60906720
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1OCC1CCCO1
InChIInChI=1S/C16H25NO4/c1-11(17)7-12-8-14(18-2)16(15(9-12)19-3)21-10-13-5-4-6-20-13/h8-9,11,13H,4-7,10,17H2,1-3H3
InChIKeyFLTBDVYGTLHWAR-UHFFFAOYSA-N
XLogP2.15
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60904754
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-[3,5-dibromo-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 107739802
1-[2,5-dimethoxy-4-(oxolan-2-ylmethyl)phenyl]propan-2-amine;hydrochloride
CID 69399771
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
1-[3-bromo-4-(cyclobutylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 65459301
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
1-[3-bromo-2-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 61392575

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine (CID 60906720) is 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine is COc1cc(CC(C)N)cc(OC)c1OCC1CCCO1.
What is the InChIKey of 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is FLTBDVYGTLHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(17)7-12-8-14(18-2)16(15(9-12)19-3)21-10-13-5-4-6-20-13/h8-9,11,13H,4-7,10,17H2,1-3H3.
What are the key properties of 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine?
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60906720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).