N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine

C17H27NO2 — CID 63015432

IUPACN-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)C1CCCOC1
InChIInChI=1S/C17H27NO2/c1-3-10-18-16(15-8-6-11-20-13-15)12-14-7-4-5-9-17(14)19-2/h4-5,7,9,15-16,18H,3,6,8,10-13H2,1-2H3
InChIKeyVUXLHGGODMPEJH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 63015432) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID63015432
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)C1CCCOC1
InChIInChI=1S/C17H27NO2/c1-3-10-18-16(15-8-6-11-20-13-15)12-14-7-4-5-9-17(14)19-2/h4-5,7,9,15-16,18H,3,6,8,10-13H2,1-2H3
InChIKeyVUXLHGGODMPEJH-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65331659
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine (CID 63015432) is N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)C1CCCOC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is VUXLHGGODMPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-10-18-16(15-8-6-11-20-13-15)12-14-7-4-5-9-17(14)19-2/h4-5,7,9,15-16,18H,3,6,8,10-13H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63015432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).