3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline

C16H20N2O4 — CID 135022405

IUPAC3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline
SMILESCOCOc1c(N)cccc1-c1cccc(N)c1OCOC
InChIInChI=1S/C16H20N2O4/c1-19-9-21-15-11(5-3-7-13(15)17)12-6-4-8-14(18)16(12)22-10-20-2/h3-8H,9-10,17-18H2,1-2H3
InChIKeyILHRZHZIYBGINJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.48
Rot. Bonds7

About 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline

3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline (PubChem CID 135022405) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline.

Molecular Properties

Compound Name3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline
PubChem CID135022405
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline
SMILESCOCOc1c(N)cccc1-c1cccc(N)c1OCOC
InChIInChI=1S/C16H20N2O4/c1-19-9-21-15-11(5-3-7-13(15)17)12-6-4-8-14(18)16(12)22-10-20-2/h3-8H,9-10,17-18H2,1-2H3
InChIKeyILHRZHZIYBGINJ-UHFFFAOYSA-N
XLogP2.48
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3-[3-iodo-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)benzene
CID 139094627
9,10-bis(methoxymethoxy)anthracene
CID 150706504
1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249
3-(methoxymethoxy)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 11820011
[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
CID 54117056
2-methoxy-3-pyridin-2-ylaniline
CID 171626476
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
3-(methoxymethoxy)-2-nitroaniline
CID 91619111
4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine
CID 15366420
1-chloro-3-fluoro-2-(methoxymethoxy)benzene
CID 131130632
[2-(methoxymethoxy)-3-methylphenyl]boronic acid
CID 44517875
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline?
The IUPAC name of 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline (CID 135022405) is 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline.
What is the SMILES notation for 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline?
The canonical SMILES for 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline is COCOc1c(N)cccc1-c1cccc(N)c1OCOC.
What is the InChIKey of 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline?
The InChIKey is ILHRZHZIYBGINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-19-9-21-15-11(5-3-7-13(15)17)12-6-4-8-14(18)16(12)22-10-20-2/h3-8H,9-10,17-18H2,1-2H3.
What are the key properties of 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline?
3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline has a molecular weight of 304.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline is sourced from PubChem (CID 135022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).