2-(4-benzyl-5-methyloxolan-2-yl)ethanamine

C14H21NO — CID 112757447

IUPAC2-(4-benzyl-5-methyloxolan-2-yl)ethanamine
SMILESCC1OC(CCN)CC1Cc1ccccc1
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
InChIKeySKEWEKXQTREGSI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine

2-(4-benzyl-5-methyloxolan-2-yl)ethanamine (PubChem CID 112757447) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyloxolan-2-yl)ethanamine
PubChem CID112757447
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-benzyl-5-methyloxolan-2-yl)ethanamine
SMILESCC1OC(CCN)CC1Cc1ccccc1
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
InChIKeySKEWEKXQTREGSI-UHFFFAOYSA-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-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine
CID 124676151
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-(4-benzyl-5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine (CID 112757447) is 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine is CC1OC(CCN)CC1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine?
The InChIKey is SKEWEKXQTREGSI-UHFFFAOYSA-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.
What are the key properties of 2-(4-benzyl-5-methyloxolan-2-yl)ethanamine?
2-(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-(4-benzyl-5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 112757447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).