2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane

C16H29NO3 — CID 145237576

IUPAC2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
SMILESCCC.COCCCOc1cc(CCN)ccc1OC
InChIInChI=1S/C13H21NO3.C3H8/c1-15-8-3-9-17-13-10-11(6-7-14)4-5-12(13)16-2;1-3-2/h4-5,10H,3,6-9,14H2,1-2H3;3H2,1-2H3
InChIKeyWQFSTRQYIZCAJL-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.03
Rot. Bonds8

About 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane

2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane (PubChem CID 145237576) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane.

Molecular Properties

Compound Name2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
PubChem CID145237576
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
SMILESCCC.COCCCOc1cc(CCN)ccc1OC
InChIInChI=1S/C13H21NO3.C3H8/c1-15-8-3-9-17-13-10-11(6-7-14)4-5-12(13)16-2;1-3-2/h4-5,10H,3,6-9,14H2,1-2H3;3H2,1-2H3
InChIKeyWQFSTRQYIZCAJL-UHFFFAOYSA-N
XLogP3.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.03
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-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728330
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252741

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane?
The IUPAC name of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane (CID 145237576) is 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane.
What is the SMILES notation for 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane?
The canonical SMILES for 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane is CCC.COCCCOc1cc(CCN)ccc1OC.
What is the InChIKey of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane?
The InChIKey is WQFSTRQYIZCAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.C3H8/c1-15-8-3-9-17-13-10-11(6-7-14)4-5-12(13)16-2;1-3-2/h4-5,10H,3,6-9,14H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane?
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane has a molecular weight of 283.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane is sourced from PubChem (CID 145237576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).