2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine

C13H21NO3 — CID 116811010

IUPAC2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(OC)cccc1OC
InChIInChI=1S/C13H21NO3/c1-15-10-9-14-8-7-11-12(16-2)5-4-6-13(11)17-3/h4-6,14H,7-10H2,1-3H3
InChIKeyHHKFAXPODATTMF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.48
Rot. Bonds8

About 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine

2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 116811010) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID116811010
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(OC)cccc1OC
InChIInChI=1S/C13H21NO3/c1-15-10-9-14-8-7-11-12(16-2)5-4-6-13(11)17-3/h4-6,14H,7-10H2,1-3H3
InChIKeyHHKFAXPODATTMF-UHFFFAOYSA-N
XLogP1.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.48
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

3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
CID 171934444
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine (CID 116811010) is 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(OC)cccc1OC.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is HHKFAXPODATTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-10-9-14-8-7-11-12(16-2)5-4-6-13(11)17-3/h4-6,14H,7-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine?
2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 116811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).