3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C15H25NO3 — CID 116811094

IUPAC3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-12(11-16-8-9-17-2)10-13-14(18-3)6-5-7-15(13)19-4/h5-7,12,16H,8-11H2,1-4H3
InChIKeyYUOKQAIRPPKXJP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.12
Rot. Bonds9

About 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 116811094) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID116811094
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-12(11-16-8-9-17-2)10-13-14(18-3)6-5-7-15(13)19-4/h5-7,12,16H,8-11H2,1-4H3
InChIKeyYUOKQAIRPPKXJP-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.12
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-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
CID 171934444
N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline
CID 134443991
3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 103396765
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 104739049
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 79445775
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 116811094) is 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)Cc1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is YUOKQAIRPPKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(11-16-8-9-17-2)10-13-14(18-3)6-5-7-15(13)19-4/h5-7,12,16H,8-11H2,1-4H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116811094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).