N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine

C19H23NO2 — CID 128998233

IUPACN-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
SMILESCOc1cccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-21-18-9-5-6-15(12-18)13-20-14-17-10-11-22-19(17)16-7-3-2-4-8-16/h2-9,12,17,19-20H,10-11,13-14H2,1H3/t17-,19-/m1/s1
InChIKeyQWYJAUZTUQVHLX-IEBWSBKVSA-N
MW297.40 g/mol
LogP3.56
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine

N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine (PubChem CID 128998233) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
PubChem CID128998233
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
SMILESCOc1cccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-21-18-9-5-6-15(12-18)13-20-14-17-10-11-22-19(17)16-7-3-2-4-8-16/h2-9,12,17,19-20H,10-11,13-14H2,1H3/t17-,19-/m1/s1
InChIKeyQWYJAUZTUQVHLX-IEBWSBKVSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79370684
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 62064582
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005002
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430
N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005007
3-[[(2-propan-2-yloxolan-3-yl)methylamino]methyl]benzoic acid
CID 122031730

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine (CID 128998233) is N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine is COc1cccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The InChIKey is QWYJAUZTUQVHLX-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-18-9-5-6-15(12-18)13-20-14-17-10-11-22-19(17)16-7-3-2-4-8-16/h2-9,12,17,19-20H,10-11,13-14H2,1H3/t17-,19-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine is sourced from PubChem (CID 128998233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).