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

C14H21NO2 — CID 65158891

IUPAC(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-11(15)13-6-2-3-7-14(13)17-10-8-12-5-4-9-16-12/h2-3,6-7,11-12H,4-5,8-10,15H2,1H3/t11-,12?/m0/s1
InChIKeyMCQKJPFUAYZGLS-PXYINDEMSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds5

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

(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 65158891) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
PubChem CID65158891
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-11(15)13-6-2-3-7-14(13)17-10-8-12-5-4-9-16-12/h2-3,6-7,11-12H,4-5,8-10,15H2,1H3/t11-,12?/m0/s1
InChIKeyMCQKJPFUAYZGLS-PXYINDEMSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-[1-[2-(oxolan-2-yl)ethoxy]naphthalen-2-yl]ethanamine
CID 65158928
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (CID 65158891) is (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is C[C@H](N)c1ccccc1OCCC1CCCO1.
What is the InChIKey of (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is MCQKJPFUAYZGLS-PXYINDEMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15)13-6-2-3-7-14(13)17-10-8-12-5-4-9-16-12/h2-3,6-7,11-12H,4-5,8-10,15H2,1H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 65158891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).