[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine

C20H25NO3 — CID 139575571

IUPAC[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine
SMILESNCC1CC(OCc2ccccc2)CC(OCc2ccccc2)O1
InChIInChI=1S/C20H25NO3/c21-13-19-11-18(22-14-16-7-3-1-4-8-16)12-20(24-19)23-15-17-9-5-2-6-10-17/h1-10,18-20H,11-15,21H2
InChIKeyQLRRAMZYMULSLU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.25
Rot. Bonds7

About [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine

[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine (PubChem CID 139575571) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine
PubChem CID139575571
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine
SMILESNCC1CC(OCc2ccccc2)CC(OCc2ccccc2)O1
InChIInChI=1S/C20H25NO3/c21-13-19-11-18(22-14-16-7-3-1-4-8-16)12-20(24-19)23-15-17-9-5-2-6-10-17/h1-10,18-20H,11-15,21H2
InChIKeyQLRRAMZYMULSLU-UHFFFAOYSA-N
XLogP3.25
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
2,4-bis(phenylmethoxy)oxane
CID 123735835
2-(fluoromethyl)-6-phenylmethoxyoxane
CID 101184720
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
[2-(aminomethyl)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]methanol
CID 73236465
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
(1R,3R,5R,6S)-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
CID 122403458

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine?
The IUPAC name of [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine (CID 139575571) is [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine.
What is the SMILES notation for [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine?
The canonical SMILES for [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine is NCC1CC(OCc2ccccc2)CC(OCc2ccccc2)O1.
What is the InChIKey of [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine?
The InChIKey is QLRRAMZYMULSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c21-13-19-11-18(22-14-16-7-3-1-4-8-16)12-20(24-19)23-15-17-9-5-2-6-10-17/h1-10,18-20H,11-15,21H2.
What are the key properties of [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine?
[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine has a molecular weight of 327.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(phenylmethoxy)oxan-2-yl]methanamine is sourced from PubChem (CID 139575571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).