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

C17H27NO2 — CID 79758998

IUPACN-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)C1CCOC1C
InChIInChI=1S/C17H27NO2/c1-4-10-18-16(15-9-11-20-13(15)2)12-14-7-5-6-8-17(14)19-3/h5-8,13,15-16,18H,4,9-12H2,1-3H3
InChIKeyGQSSRKZXGSFLBS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 79758998) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID79758998
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)C1CCOC1C
InChIInChI=1S/C17H27NO2/c1-4-10-18-16(15-9-11-20-13(15)2)12-14-7-5-6-8-17(14)19-3/h5-8,13,15-16,18H,4,9-12H2,1-3H3
InChIKeyGQSSRKZXGSFLBS-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-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105035660
N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (CID 79758998) is N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)C1CCOC1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is GQSSRKZXGSFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-10-18-16(15-9-11-20-13(15)2)12-14-7-5-6-8-17(14)19-3/h5-8,13,15-16,18H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-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-(2-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).