(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

C15H23NO2 — CID 79004695

IUPAC(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESCc1ccc(OCCC2CCCO2)c([C@H](C)N)c1
InChIInChI=1S/C15H23NO2/c1-11-5-6-15(14(10-11)12(2)16)18-9-7-13-4-3-8-17-13/h5-6,10,12-13H,3-4,7-9,16H2,1-2H3/t12-,13?/m0/s1
InChIKeyZRBLQVPJYWNTHW-UEWDXFNNSA-N
MW249.35 g/mol
LogP2.96
Rot. Bonds5

About (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 79004695) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
PubChem CID79004695
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESCc1ccc(OCCC2CCCO2)c([C@H](C)N)c1
InChIInChI=1S/C15H23NO2/c1-11-5-6-15(14(10-11)12(2)16)18-9-7-13-4-3-8-17-13/h5-6,10,12-13H,3-4,7-9,16H2,1-2H3/t12-,13?/m0/s1
InChIKeyZRBLQVPJYWNTHW-UEWDXFNNSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (CID 79004695) is (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is Cc1ccc(OCCC2CCCO2)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is ZRBLQVPJYWNTHW-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-6-15(14(10-11)12(2)16)18-9-7-13-4-3-8-17-13/h5-6,10,12-13H,3-4,7-9,16H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 79004695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).