N-[amino-(4-methylphenyl)methyl]hydroxylamine

C8H12N2O — CID 142151488

IUPACN-[amino-(4-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(C(N)NO)cc1
InChIInChI=1S/C8H12N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,8,10-11H,9H2,1H3
InChIKeyMUBZCWXLLUOGHB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.93
Rot. Bonds2

About N-[amino-(4-methylphenyl)methyl]hydroxylamine

N-[amino-(4-methylphenyl)methyl]hydroxylamine (PubChem CID 142151488) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[amino-(4-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[amino-(4-methylphenyl)methyl]hydroxylamine
PubChem CID142151488
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[amino-(4-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(C(N)NO)cc1
InChIInChI=1S/C8H12N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,8,10-11H,9H2,1H3
InChIKeyMUBZCWXLLUOGHB-UHFFFAOYSA-N
XLogP0.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino-(4-methylphenyl)methanol
CID 70304176
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
bromo-(4-methylphenyl)methanamine
CID 22286716
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid
CID 14968025
[2-methyl-1-(4-methylphenyl)prop-2-enyl]hydrazine
CID 105194461
(1S)-3-methyl-1-(4-methylphenyl)but-3-en-1-amine
CID 130989094
[3-methyl-1-(4-methylphenyl)but-2-enyl]hydrazine
CID 105194488
CID 158402729
CID 158402729
(3R)-3-amino-3-(4-methylphenyl)propane-1,1-diol
CID 163794645
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[amino-(4-methylphenyl)methyl]hydroxylamine (CID 142151488) is N-[amino-(4-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[amino-(4-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[amino-(4-methylphenyl)methyl]hydroxylamine is Cc1ccc(C(N)NO)cc1.
What is the InChIKey of N-[amino-(4-methylphenyl)methyl]hydroxylamine?
The InChIKey is MUBZCWXLLUOGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,8,10-11H,9H2,1H3.
What are the key properties of N-[amino-(4-methylphenyl)methyl]hydroxylamine?
N-[amino-(4-methylphenyl)methyl]hydroxylamine has a molecular weight of 152.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 142151488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).