2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine

C19H23NO3 — CID 25130878

IUPAC2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
SMILESc1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-/m1/s1
InChIKeyZUVHIOFWBBSJDZ-RTBURBONSA-N
MW313.40 g/mol
LogP2.81
Rot. Bonds7

About 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine

2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine (PubChem CID 25130878) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
PubChem CID25130878
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
SMILESc1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-/m1/s1
InChIKeyZUVHIOFWBBSJDZ-RTBURBONSA-N
XLogP2.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

2-phenoxy-N-[[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]methyl]ethanamine
CID 10979460
oxalic acid;2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
CID 25133238
(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide
CID 25132912
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-phenoxyethanamine
CID 10880840
N-[(2,2-diphenyl-1,3-dioxan-5-yl)methyl]-2-phenoxyethanamine
CID 155552821
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79357947
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine?
The IUPAC name of 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine (CID 25130878) is 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine is c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1.
What is the InChIKey of 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine?
The InChIKey is ZUVHIOFWBBSJDZ-RTBURBONSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-/m1/s1.
What are the key properties of 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine?
2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine has a molecular weight of 313.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine is sourced from PubChem (CID 25130878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).