O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine

C12H20N2O2 — CID 117322409

IUPACO-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
SMILESCOc1c(CCON)cccc1CN(C)C
InChIInChI=1S/C12H20N2O2/c1-14(2)9-11-6-4-5-10(7-8-16-13)12(11)15-3/h4-6H,7-9,13H2,1-3H3
InChIKeyHZSFDDDCHUQZFO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.19
Rot. Bonds6

About O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine

O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine (PubChem CID 117322409) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
PubChem CID117322409
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameO-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
SMILESCOc1c(CCON)cccc1CN(C)C
InChIInChI=1S/C12H20N2O2/c1-14(2)9-11-6-4-5-10(7-8-16-13)12(11)15-3/h4-6H,7-9,13H2,1-3H3
InChIKeyHZSFDDDCHUQZFO-UHFFFAOYSA-N
XLogP1.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117341162
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
CID 117411111
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117328956

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine (CID 117322409) is O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine is COc1c(CCON)cccc1CN(C)C.
What is the InChIKey of O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine?
The InChIKey is HZSFDDDCHUQZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)9-11-6-4-5-10(7-8-16-13)12(11)15-3/h4-6H,7-9,13H2,1-3H3.
What are the key properties of O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine?
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine has a molecular weight of 224.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117322409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).