N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine

C10H16N2O2 — CID 117286391

IUPACN-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1ccc(N(C)C)cc1CNO
InChIInChI=1S/C10H16N2O2/c1-12(2)9-4-5-10(14-3)8(6-9)7-11-13/h4-6,11,13H,7H2,1-3H3
InChIKeyZQOLEACBVMPWEV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.24
Rot. Bonds4

About N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine

N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine (PubChem CID 117286391) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine
PubChem CID117286391
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1ccc(N(C)C)cc1CNO
InChIInChI=1S/C10H16N2O2/c1-12(2)9-4-5-10(14-3)8(6-9)7-11-13/h4-6,11,13H,7H2,1-3H3
InChIKeyZQOLEACBVMPWEV-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
2-amino-1-[5-(dimethylamino)-2-methoxyphenyl]ethanol
CID 117300657
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
CID 117413761
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
5-(dimethylamino)-2-methoxybenzenediazonium
CID 57013987

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine (CID 117286391) is N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine is COc1ccc(N(C)C)cc1CNO.
What is the InChIKey of N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine?
The InChIKey is ZQOLEACBVMPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(2)9-4-5-10(14-3)8(6-9)7-11-13/h4-6,11,13H,7H2,1-3H3.
What are the key properties of N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine?
N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine has a molecular weight of 196.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117286391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).