1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine

C14H21NO3 — CID 63559336

IUPAC1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OC1CCOC1
InChIInChI=1S/C14H21NO3/c1-3-17-14-8-11(9-15-2)4-5-13(14)18-12-6-7-16-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3
InChIKeyBQMYVPNVKMSRLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds6

About 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine

1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine (PubChem CID 63559336) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
PubChem CID63559336
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OC1CCOC1
InChIInChI=1S/C14H21NO3/c1-3-17-14-8-11(9-15-2)4-5-13(14)18-12-6-7-16-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3
InChIKeyBQMYVPNVKMSRLC-UHFFFAOYSA-N
XLogP1.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63556348
3-[4-(bromomethyl)-2-ethoxyphenoxy]oxolane
CID 63557577
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
CID 63359991
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 81251241
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine (CID 63559336) is 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine is CCOc1cc(CNC)ccc1OC1CCOC1.
What is the InChIKey of 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is BQMYVPNVKMSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-17-14-8-11(9-15-2)4-5-13(14)18-12-6-7-16-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63559336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).