2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine

C26H29NO5 — CID 11135150

IUPAC2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine
SMILESCOc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3
InChIKeyXRTCZMPGERZCKE-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.99
Rot. Bonds10

About 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine

2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine (PubChem CID 11135150) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine
PubChem CID11135150
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine
SMILESCOc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3
InChIKeyXRTCZMPGERZCKE-UHFFFAOYSA-N
XLogP3.99
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethoxyphenoxy)-N-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]ethanamine
CID 25131193
N-[[(2S,4S)-2-benzyl-1,3-dioxolan-4-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine
CID 11037922
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 134157330
N-[(2,2-diphenyl-1,3-dioxan-5-yl)methyl]-2-phenoxyethanamine
CID 155552821
2-(2,6-dimethoxyphenoxy)-N-[[(3S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine chloride
CID 71533073
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
(3S,4R)-3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-3,4-dihydro-2H-chromen-4-ol
CID 14183462
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-phenoxyethanamine
CID 10880840
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]ethanamine
CID 11994797

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine (CID 11135150) is 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine is COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine?
The InChIKey is XRTCZMPGERZCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine?
2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine has a molecular weight of 435.52 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine is sourced from PubChem (CID 11135150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).