3-(2,6-dimethoxyphenoxy)propan-1-amine

C11H17NO3 — CID 14025832

IUPAC3-(2,6-dimethoxyphenoxy)propan-1-amine
SMILESCOc1cccc(OC)c1OCCCN
InChIInChI=1S/C11H17NO3/c1-13-9-5-3-6-10(14-2)11(9)15-8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3
InChIKeyZPQXWUOJHSFONL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.43
Rot. Bonds6

About 3-(2,6-dimethoxyphenoxy)propan-1-amine

3-(2,6-dimethoxyphenoxy)propan-1-amine (PubChem CID 14025832) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)propan-1-amine
PubChem CID14025832
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(2,6-dimethoxyphenoxy)propan-1-amine
SMILESCOc1cccc(OC)c1OCCCN
InChIInChI=1S/C11H17NO3/c1-13-9-5-3-6-10(14-2)11(9)15-8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3
InChIKeyZPQXWUOJHSFONL-UHFFFAOYSA-N
XLogP1.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.43
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

4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
4-(2,6-dimethoxyphenoxy)butanethioamide
CID 24696993
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 118774344
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)propan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)propan-1-amine (CID 14025832) is 3-(2,6-dimethoxyphenoxy)propan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)propan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)propan-1-amine is COc1cccc(OC)c1OCCCN.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)propan-1-amine?
The InChIKey is ZPQXWUOJHSFONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-13-9-5-3-6-10(14-2)11(9)15-8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)propan-1-amine?
3-(2,6-dimethoxyphenoxy)propan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)propan-1-amine is sourced from PubChem (CID 14025832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).