N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine

C16H27NO3 — CID 43770870

IUPACN-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCCCOCCOC)c1ccccc1OC
InChIInChI=1S/C16H27NO3/c1-4-15(14-8-5-6-9-16(14)19-3)17-10-7-11-20-13-12-18-2/h5-6,8-9,15,17H,4,7,10-13H2,1-3H3
InChIKeyGLGDONUYVZIIKQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds11

About N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine

N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 43770870) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID43770870
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCCCOCCOC)c1ccccc1OC
InChIInChI=1S/C16H27NO3/c1-4-15(14-8-5-6-9-16(14)19-3)17-10-7-11-20-13-12-18-2/h5-6,8-9,15,17H,4,7,10-13H2,1-3H3
InChIKeyGLGDONUYVZIIKQ-UHFFFAOYSA-N
XLogP2.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.79
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

1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine (CID 43770870) is N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NCCCOCCOC)c1ccccc1OC.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is GLGDONUYVZIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-15(14-8-5-6-9-16(14)19-3)17-10-7-11-20-13-12-18-2/h5-6,8-9,15,17H,4,7,10-13H2,1-3H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43770870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).