N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine

C9H13NO2 — CID 117276489

IUPACN-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)ccc1C
InChIInChI=1S/C9H13NO2/c1-7-3-4-8(6-10-11)5-9(7)12-2/h3-5,10-11H,6H2,1-2H3
InChIKeyBSVXHMYQKYEJRZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.48
Rot. Bonds3

About N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine

N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine (PubChem CID 117276489) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
PubChem CID117276489
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)ccc1C
InChIInChI=1S/C9H13NO2/c1-7-3-4-8(6-10-11)5-9(7)12-2/h3-5,10-11H,6H2,1-2H3
InChIKeyBSVXHMYQKYEJRZ-UHFFFAOYSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176959319
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406
dimethyl 2-[(3-methoxy-4-methylphenyl)methyl]propanedioate
CID 18626507
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine (CID 117276489) is N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine is COc1cc(CNO)ccc1C.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine?
The InChIKey is BSVXHMYQKYEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-3-4-8(6-10-11)5-9(7)12-2/h3-5,10-11H,6H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine?
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117276489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).