(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine

C15H23NO2 — CID 99849083

IUPAC(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine
SMILESCc1cccc(C)c1OC[C@H](C)N[C@@H]1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-5-4-6-12(2)15(11)18-9-13(3)16-14-7-8-17-10-14/h4-6,13-14,16H,7-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyUMRAJVQOFCQEIN-UONOGXRCSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds5

About (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine

(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine (PubChem CID 99849083) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine
PubChem CID99849083
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine
SMILESCc1cccc(C)c1OC[C@H](C)N[C@@H]1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-5-4-6-12(2)15(11)18-9-13(3)16-14-7-8-17-10-14/h4-6,13-14,16H,7-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyUMRAJVQOFCQEIN-UONOGXRCSA-N
XLogP2.45
TPSA30.49 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-1-methyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 97221527
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
N-[1-(2-methylpropoxy)propan-2-yl]oxolan-3-amine
CID 115689093
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
N-(1-bromopropan-2-yl)oxolan-3-amine
CID 107859755
1-(2,6-dimethylphenoxy)-N-(methyldisulfanyl)propan-2-amine
CID 123873902
1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
CID 104748343
N-(2-methoxy-1-phenylethyl)oxolan-3-amine
CID 115889939
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine?
The IUPAC name of (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine (CID 99849083) is (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine.
What is the SMILES notation for (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine?
The canonical SMILES for (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine is Cc1cccc(C)c1OC[C@H](C)N[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine?
The InChIKey is UMRAJVQOFCQEIN-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-4-6-12(2)15(11)18-9-13(3)16-14-7-8-17-10-14/h4-6,13-14,16H,7-10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine?
(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine is sourced from PubChem (CID 99849083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).