2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine

C14H23NO3 — CID 39356672

IUPAC2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1c(CNCCOC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-4-9-18-14-12(11-15-8-10-16-2)6-5-7-13(14)17-3/h5-7,15H,4,8-11H2,1-3H3
InChIKeyHBAVGBPTTNZDKH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine

2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine (PubChem CID 39356672) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
PubChem CID39356672
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1c(CNCCOC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-4-9-18-14-12(11-15-8-10-16-2)6-5-7-13(14)17-3/h5-7,15H,4,8-11H2,1-3H3
InChIKeyHBAVGBPTTNZDKH-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
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

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 63056439
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine (CID 39356672) is 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine is CCCOc1c(CNCCOC)cccc1OC.
What is the InChIKey of 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine?
The InChIKey is HBAVGBPTTNZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-9-18-14-12(11-15-8-10-16-2)6-5-7-13(14)17-3/h5-7,15H,4,8-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine?
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 39356672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).