N-[3-methyl-5-(methylamino)phenyl]hydroxylamine

C8H12N2O — CID 143832434

IUPACN-[3-methyl-5-(methylamino)phenyl]hydroxylamine
SMILESCNc1cc(C)cc(NO)c1
InChIInChI=1S/C8H12N2O/c1-6-3-7(9-2)5-8(4-6)10-11/h3-5,9-11H,1-2H3
InChIKeyMBIFSVJYUGUXPE-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.84
Rot. Bonds2

About N-[3-methyl-5-(methylamino)phenyl]hydroxylamine

N-[3-methyl-5-(methylamino)phenyl]hydroxylamine (PubChem CID 143832434) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[3-methyl-5-(methylamino)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-5-(methylamino)phenyl]hydroxylamine
PubChem CID143832434
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[3-methyl-5-(methylamino)phenyl]hydroxylamine
SMILESCNc1cc(C)cc(NO)c1
InChIInChI=1S/C8H12N2O/c1-6-3-7(9-2)5-8(4-6)10-11/h3-5,9-11H,1-2H3
InChIKeyMBIFSVJYUGUXPE-UHFFFAOYSA-N
XLogP1.84
TPSA44.29 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 ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-5-(methylamino)benzamide
CID 88971249
[3-methyl-5-(methylamino)phenyl]methanethiol
CID 143150012
N,N,3-trimethyl-5-(methylamino)benzamide
CID 88971257
3-bromo-N,5-dimethylaniline;methanethioamide
CID 143598435
3-[3-(3-amino-5-methylphenyl)-5-[3-methyl-5-(methylamino)phenyl]phenyl]-5-methylaniline
CID 145179763
N,3-dimethyl-5-pyrrolidin-1-ylaniline
CID 69340936
3-isothiocyanato-N,5-dimethylaniline
CID 23400541
5-(methylamino)benzene-1,2,3-triol
CID 18412870
N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
CID 129095419
3-(2-fluorophenyl)-N,5-dimethylaniline
CID 126670489
N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline
CID 59534456
N-[3,5-bis(methylamino)phenyl]formamide
CID 158907123

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(methylamino)phenyl]hydroxylamine?
The IUPAC name of N-[3-methyl-5-(methylamino)phenyl]hydroxylamine (CID 143832434) is N-[3-methyl-5-(methylamino)phenyl]hydroxylamine.
What is the SMILES notation for N-[3-methyl-5-(methylamino)phenyl]hydroxylamine?
The canonical SMILES for N-[3-methyl-5-(methylamino)phenyl]hydroxylamine is CNc1cc(C)cc(NO)c1.
What is the InChIKey of N-[3-methyl-5-(methylamino)phenyl]hydroxylamine?
The InChIKey is MBIFSVJYUGUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-7(9-2)5-8(4-6)10-11/h3-5,9-11H,1-2H3.
What are the key properties of N-[3-methyl-5-(methylamino)phenyl]hydroxylamine?
N-[3-methyl-5-(methylamino)phenyl]hydroxylamine has a molecular weight of 152.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(methylamino)phenyl]hydroxylamine is sourced from PubChem (CID 143832434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).