N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine

C15H23NO3 — CID 115655289

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCOc1cccc(CNC(C)C2CCOC2)c1OC
InChIInChI=1S/C15H23NO3/c1-11(13-7-8-19-10-13)16-9-12-5-4-6-14(17-2)15(12)18-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyGNKAHQKKGWBPJF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655289) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655289
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCOc1cccc(CNC(C)C2CCOC2)c1OC
InChIInChI=1S/C15H23NO3/c1-11(13-7-8-19-10-13)16-9-12-5-4-6-14(17-2)15(12)18-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyGNKAHQKKGWBPJF-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115655170
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 115890011
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 104646424

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115655289) is N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine is COc1cccc(CNC(C)C2CCOC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is GNKAHQKKGWBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(13-7-8-19-10-13)16-9-12-5-4-6-14(17-2)15(12)18-3/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).