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

C16H27NO5 — CID 2869656

IUPACN-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOCCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO5/c1-18-10-5-8-17-9-11-21-12-13-22-16-14(19-2)6-4-7-15(16)20-3/h4,6-7,17H,5,8-13H2,1-3H3
InChIKeyYEWWQWKIPHCUBB-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.73
Rot. Bonds13

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

N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine (PubChem CID 2869656) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
PubChem CID2869656
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC NameN-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOCCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO5/c1-18-10-5-8-17-9-11-21-12-13-22-16-14(19-2)6-4-7-15(16)20-3/h4,6-7,17H,5,8-13H2,1-3H3
InChIKeyYEWWQWKIPHCUBB-UHFFFAOYSA-N
XLogP1.73
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine (CID 2869656) is N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine is COCCCNCCOCCOc1c(OC)cccc1OC.
What is the InChIKey of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The InChIKey is YEWWQWKIPHCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-18-10-5-8-17-9-11-21-12-13-22-16-14(19-2)6-4-7-15(16)20-3/h4,6-7,17H,5,8-13H2,1-3H3.
What are the key properties of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine has a molecular weight of 313.39 g/mol, XLogP of 1.73, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 2869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).