N-[(2-benzyloxolan-3-yl)methyl]ethanamine

C14H21NO — CID 79368716

IUPACN-[(2-benzyloxolan-3-yl)methyl]ethanamine
SMILESCCNCC1CCOC1Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-15-11-13-8-9-16-14(13)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyLTCGDZHJQMZNOR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.24
Rot. Bonds5

About N-[(2-benzyloxolan-3-yl)methyl]ethanamine

N-[(2-benzyloxolan-3-yl)methyl]ethanamine (PubChem CID 79368716) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-benzyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-benzyloxolan-3-yl)methyl]ethanamine
PubChem CID79368716
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2-benzyloxolan-3-yl)methyl]ethanamine
SMILESCCNCC1CCOC1Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-15-11-13-8-9-16-14(13)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyLTCGDZHJQMZNOR-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyloxolan-3-yl)-N-methylmethanamine
CID 79368511
(2-benzyloxolan-3-yl)methanamine
CID 79368410
N-[(2-benzylcyclopropyl)methyl]ethanamine
CID 62703862
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane
CID 11481131
2-benzyloxolane-3-carbonitrile
CID 79368490
N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 114105327
2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368723
(2-benzyloxan-3-yl)methanamine
CID 79367759
(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
CID 45277508
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-benzyloxolan-3-yl)methyl]ethanamine (CID 79368716) is N-[(2-benzyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-benzyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-benzyloxolan-3-yl)methyl]ethanamine is CCNCC1CCOC1Cc1ccccc1.
What is the InChIKey of N-[(2-benzyloxolan-3-yl)methyl]ethanamine?
The InChIKey is LTCGDZHJQMZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-15-11-13-8-9-16-14(13)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3.
What are the key properties of N-[(2-benzyloxolan-3-yl)methyl]ethanamine?
N-[(2-benzyloxolan-3-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79368716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).