2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine

C14H21NO — CID 124676151

IUPAC2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine
SMILESC[C@@H]1O[C@H](CCN)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-11-13(10-14(16-11)7-8-15)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3/t11-,13-,14+/m0/s1
InChIKeySKEWEKXQTREGSI-FPMFFAJLSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine

2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine (PubChem CID 124676151) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine
PubChem CID124676151
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine
SMILESC[C@@H]1O[C@H](CCN)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-11-13(10-14(16-11)7-8-15)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3/t11-,13-,14+/m0/s1
InChIKeySKEWEKXQTREGSI-FPMFFAJLSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzyl-5-methyloxolan-2-yl)ethanamine
CID 112757447
2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
CID 117169445
(2-benzylcyclopropyl)methanamine
CID 56605942
2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine
CID 59821310
5-benzyl-4-methyl-1,3-dioxane
CID 12704146
2-[5-(1,2-diphenylethyl)oxolan-2-yl]ethanamine
CID 67499980
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
CID 15856891
4-benzyl-3-methyloxolan-2-one
CID 86193814
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine?
The IUPAC name of 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine (CID 124676151) is 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine is C[C@@H]1O[C@H](CCN)C[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine?
The InChIKey is SKEWEKXQTREGSI-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-13(10-14(16-11)7-8-15)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3/t11-,13-,14+/m0/s1.
What are the key properties of 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine?
2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine is sourced from PubChem (CID 124676151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).