N,N-dihydroxy-4-(methoxymethyl)aniline

C8H11NO3 — CID 90693796

IUPACN,N-dihydroxy-4-(methoxymethyl)aniline
SMILESCOCc1ccc(N(O)O)cc1
InChIInChI=1S/C8H11NO3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,10-11H,6H2,1H3
InChIKeyGBESWBGYWAGDMA-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.42
Rot. Bonds3

About N,N-dihydroxy-4-(methoxymethyl)aniline

N,N-dihydroxy-4-(methoxymethyl)aniline (PubChem CID 90693796) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N,N-dihydroxy-4-(methoxymethyl)aniline.

Molecular Properties

Compound NameN,N-dihydroxy-4-(methoxymethyl)aniline
PubChem CID90693796
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN,N-dihydroxy-4-(methoxymethyl)aniline
SMILESCOCc1ccc(N(O)O)cc1
InChIInChI=1S/C8H11NO3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,10-11H,6H2,1H3
InChIKeyGBESWBGYWAGDMA-UHFFFAOYSA-N
XLogP1.42
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
CID 59479623
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58607563
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane
CID 142241556
1-(methoxymethyl)-4-phenylbenzene
CID 14906855

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-4-(methoxymethyl)aniline?
The IUPAC name of N,N-dihydroxy-4-(methoxymethyl)aniline (CID 90693796) is N,N-dihydroxy-4-(methoxymethyl)aniline.
What is the SMILES notation for N,N-dihydroxy-4-(methoxymethyl)aniline?
The canonical SMILES for N,N-dihydroxy-4-(methoxymethyl)aniline is COCc1ccc(N(O)O)cc1.
What is the InChIKey of N,N-dihydroxy-4-(methoxymethyl)aniline?
The InChIKey is GBESWBGYWAGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,10-11H,6H2,1H3.
What are the key properties of N,N-dihydroxy-4-(methoxymethyl)aniline?
N,N-dihydroxy-4-(methoxymethyl)aniline has a molecular weight of 169.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-4-(methoxymethyl)aniline is sourced from PubChem (CID 90693796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).