(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine

C15H23NO2 — CID 104889478

IUPAC(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC2CCC(C)(C)O2)cc1
InChIInChI=1S/C15H23NO2/c1-11(16)12-4-6-13(7-5-12)17-10-14-8-9-15(2,3)18-14/h4-7,11,14H,8-10,16H2,1-3H3/t11-,14?/m1/s1
InChIKeyVMDIRGUGQQEILV-YNODCEANSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds4

About (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 104889478) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID104889478
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC2CCC(C)(C)O2)cc1
InChIInChI=1S/C15H23NO2/c1-11(16)12-4-6-13(7-5-12)17-10-14-8-9-15(2,3)18-14/h4-7,11,14H,8-10,16H2,1-3H3/t11-,14?/m1/s1
InChIKeyVMDIRGUGQQEILV-YNODCEANSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-1-ol
CID 104889581
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520805
N-[[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 116520720
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 104889478) is (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OCC2CCC(C)(C)O2)cc1.
What is the InChIKey of (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is VMDIRGUGQQEILV-YNODCEANSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16)12-4-6-13(7-5-12)17-10-14-8-9-15(2,3)18-14/h4-7,11,14H,8-10,16H2,1-3H3/t11-,14?/m1/s1.
What are the key properties of (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 104889478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).