2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

C20H25NO2 — CID 7380062

IUPAC2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESc1ccc(Cc2ccccc2OCCNC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H25NO2/c1-2-7-17(8-3-1)15-18-9-4-5-11-20(18)23-14-12-21-16-19-10-6-13-22-19/h1-5,7-9,11,19,21H,6,10,12-16H2/t19-/m1/s1
InChIKeyYNSWLFCCAHIQGE-LJQANCHMSA-N
MW311.43 g/mol
LogP3.42
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (PubChem CID 7380062) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
PubChem CID7380062
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESc1ccc(Cc2ccccc2OCCNC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H25NO2/c1-2-7-17(8-3-1)15-18-9-4-5-11-20(18)23-14-12-21-16-19-10-6-13-22-19/h1-5,7-9,11,19,21H,6,10,12-16H2/t19-/m1/s1
InChIKeyYNSWLFCCAHIQGE-LJQANCHMSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 2430853
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (CID 7380062) is 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is c1ccc(Cc2ccccc2OCCNC[C@H]2CCCO2)cc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is YNSWLFCCAHIQGE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-7-17(8-3-1)15-18-9-4-5-11-20(18)23-14-12-21-16-19-10-6-13-22-19/h1-5,7-9,11,19,21H,6,10,12-16H2/t19-/m1/s1.
What are the key properties of 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 311.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 7380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).