(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

C14H21NO2 — CID 103133228

IUPAC(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2ccc([C@H](C)N)cc2)O1
InChIInChI=1S/C14H21NO2/c1-10-3-6-14(17-10)9-16-13-7-4-12(5-8-13)11(2)15/h4-5,7-8,10-11,14H,3,6,9,15H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyOPLFJXRVNMVWJQ-CVZZAPKMSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds4

About (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 103133228) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID103133228
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2ccc([C@H](C)N)cc2)O1
InChIInChI=1S/C14H21NO2/c1-10-3-6-14(17-10)9-16-13-7-4-12(5-8-13)11(2)15/h4-5,7-8,10-11,14H,3,6,9,15H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyOPLFJXRVNMVWJQ-CVZZAPKMSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103132895
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
1-[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 103136650
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132805
(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135165
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 107668362
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 103133228) is (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is CC1CCC(COc2ccc([C@H](C)N)cc2)O1.
What is the InChIKey of (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is OPLFJXRVNMVWJQ-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-6-14(17-10)9-16-13-7-4-12(5-8-13)11(2)15/h4-5,7-8,10-11,14H,3,6,9,15H2,1-2H3/t10?,11-,14?/m0/s1.
What are the key properties of (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103133228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).