2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine

C15H23NO3 — CID 43191422

IUPAC2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCC2CCOC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-4-3-12(9-15(14)18-2)5-7-16-10-13-6-8-19-11-13/h3-4,9,13,16H,5-8,10-11H2,1-2H3
InChIKeyOJWOSWXQEVYILH-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.87
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine

2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43191422) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43191422
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCC2CCOC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-4-3-12(9-15(14)18-2)5-7-16-10-13-6-8-19-11-13/h3-4,9,13,16H,5-8,10-11H2,1-2H3
InChIKeyOJWOSWXQEVYILH-UHFFFAOYSA-N
XLogP1.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502414
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
CID 102671737
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61019678
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43191422) is 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine is COc1ccc(CCNCC2CCOC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is OJWOSWXQEVYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-4-3-12(9-15(14)18-2)5-7-16-10-13-6-8-19-11-13/h3-4,9,13,16H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43191422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).