(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine

C17H27NO3 — CID 11266359

IUPAC(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine
SMILESCOCO[C@H](CC/C=C/COCc1ccccc1)[C@@H](C)N
InChIInChI=1S/C17H27NO3/c1-15(18)17(21-14-19-2)11-7-4-8-12-20-13-16-9-5-3-6-10-16/h3-6,8-10,15,17H,7,11-14,18H2,1-2H3/b8-4+/t15-,17-/m1/s1
InChIKeyQFMDHYXHNHBFGR-WCWGKUCCSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds11

About (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine

(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine (PubChem CID 11266359) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine.

Molecular Properties

Compound Name(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine
PubChem CID11266359
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine
SMILESCOCO[C@H](CC/C=C/COCc1ccccc1)[C@@H](C)N
InChIInChI=1S/C17H27NO3/c1-15(18)17(21-14-19-2)11-7-4-8-12-20-13-16-9-5-3-6-10-16/h3-6,8-10,15,17H,7,11-14,18H2,1-2H3/b8-4+/t15-,17-/m1/s1
InChIKeyQFMDHYXHNHBFGR-WCWGKUCCSA-N
XLogP2.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane
CID 11266323
[(E,2R,3S)-2-(methoxymethoxy)-3,6-bis(phenylmethoxy)hex-4-enoxy]methylbenzene
CID 135036465
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal
CID 11780450
[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
CID 122213469
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane
CID 11362234
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine?
The IUPAC name of (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine (CID 11266359) is (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine.
What is the SMILES notation for (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine?
The canonical SMILES for (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine is COCO[C@H](CC/C=C/COCc1ccccc1)[C@@H](C)N.
What is the InChIKey of (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine?
The InChIKey is QFMDHYXHNHBFGR-WCWGKUCCSA-N. The full InChI is InChI=1S/C17H27NO3/c1-15(18)17(21-14-19-2)11-7-4-8-12-20-13-16-9-5-3-6-10-16/h3-6,8-10,15,17H,7,11-14,18H2,1-2H3/b8-4+/t15-,17-/m1/s1.
What are the key properties of (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine?
(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine is sourced from PubChem (CID 11266359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).