N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine

C14H23NO4 — CID 62572083

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1c(OC)cccc1OC
InChIInChI=1S/C14H23NO4/c1-16-10-5-8-15-9-11-19-14-12(17-2)6-4-7-13(14)18-3/h4,6-7,15H,5,8-11H2,1-3H3
InChIKeyGCKGFSWYKAUUPF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds10

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine

N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine (PubChem CID 62572083) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
PubChem CID62572083
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1c(OC)cccc1OC
InChIInChI=1S/C14H23NO4/c1-16-10-5-8-15-9-11-19-14-12(17-2)6-4-7-13(14)18-3/h4,6-7,15H,5,8-11H2,1-3H3
InChIKeyGCKGFSWYKAUUPF-UHFFFAOYSA-N
XLogP1.71
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62599477
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine (CID 62572083) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine is COCCCNCCOc1c(OC)cccc1OC.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine?
The InChIKey is GCKGFSWYKAUUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-16-10-5-8-15-9-11-19-14-12(17-2)6-4-7-13(14)18-3/h4,6-7,15H,5,8-11H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62572083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).