1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C16H25NO4 — CID 115655170

IUPAC1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)C2CCOC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-11(13-5-6-21-10-13)17-9-12-7-14(18-2)16(20-4)15(8-12)19-3/h7-8,11,13,17H,5-6,9-10H2,1-4H3
InChIKeyJZYPQJIJAKMXDU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.23
Rot. Bonds7

About 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 115655170) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID115655170
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)C2CCOC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-11(13-5-6-21-10-13)17-9-12-7-14(18-2)16(20-4)15(8-12)19-3/h7-8,11,13,17H,5-6,9-10H2,1-4H3
InChIKeyJZYPQJIJAKMXDU-UHFFFAOYSA-N
XLogP2.23
TPSA48.95 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769090
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 104646424
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655306

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 115655170) is 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(CNC(C)C2CCOC2)cc(OC)c1OC.
What is the InChIKey of 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is JZYPQJIJAKMXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(13-5-6-21-10-13)17-9-12-7-14(18-2)16(20-4)15(8-12)19-3/h7-8,11,13,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115655170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).