(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine

C13H19NO — CID 97358541

IUPAC(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
SMILESCCc1ccccc1N[C@@H]1CCO[C@H]1C
InChIInChI=1S/C13H19NO/c1-3-11-6-4-5-7-13(11)14-12-8-9-15-10(12)2/h4-7,10,12,14H,3,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyWBQGTQYMXLOQSN-CMPLNLGQSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds3

About (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine

(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine (PubChem CID 97358541) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
PubChem CID97358541
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
SMILESCCc1ccccc1N[C@@H]1CCO[C@H]1C
InChIInChI=1S/C13H19NO/c1-3-11-6-4-5-7-13(11)14-12-8-9-15-10(12)2/h4-7,10,12,14H,3,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyWBQGTQYMXLOQSN-CMPLNLGQSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine (CID 97358541) is (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine is CCc1ccccc1N[C@@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine?
The InChIKey is WBQGTQYMXLOQSN-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11-6-4-5-7-13(11)14-12-8-9-15-10(12)2/h4-7,10,12,14H,3,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine?
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).