1-(N-amino-2-methylanilino)ethanol

C9H14N2O — CID 146479047

IUPAC1-(N-amino-2-methylanilino)ethanol
SMILESCc1ccccc1N(N)C(C)O
InChIInChI=1S/C9H14N2O/c1-7-5-3-4-6-9(7)11(10)8(2)12/h3-6,8,12H,10H2,1-2H3
InChIKeyQBRMTPMWFBPWNI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.01
Rot. Bonds2

About 1-(N-amino-2-methylanilino)ethanol

1-(N-amino-2-methylanilino)ethanol (PubChem CID 146479047) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(N-amino-2-methylanilino)ethanol.

Molecular Properties

Compound Name1-(N-amino-2-methylanilino)ethanol
PubChem CID146479047
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(N-amino-2-methylanilino)ethanol
SMILESCc1ccccc1N(N)C(C)O
InChIInChI=1S/C9H14N2O/c1-7-5-3-4-6-9(7)11(10)8(2)12/h3-6,8,12H,10H2,1-2H3
InChIKeyQBRMTPMWFBPWNI-UHFFFAOYSA-N
XLogP1.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-amino-N'-(2-methylphenyl)acetohydrazide
CID 141294886
1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
CID 67257224
1,1-bis(2-methylphenyl)urea
CID 3049256
2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine
CID 76944382
1-[N-(2-hydroxyethyl)-2-methylanilino]propan-2-ol
CID 14569262
2-methyl-N-(2-methylphenyl)-N-phosphanylaniline
CID 158300974
azane;1,2-xylene
CID 174280305
propan-2-ol;toluene;1,2-xylene
CID 175542650
1-[(1-amino-1-oxopropan-2-yl)-sulfinatoamino]-2-methylbenzene
CID 67207400
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
N,2-dimethyl-N-propylaniline
CID 69435269
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 78940882

Frequently Asked Questions

What is the IUPAC name of 1-(N-amino-2-methylanilino)ethanol?
The IUPAC name of 1-(N-amino-2-methylanilino)ethanol (CID 146479047) is 1-(N-amino-2-methylanilino)ethanol.
What is the SMILES notation for 1-(N-amino-2-methylanilino)ethanol?
The canonical SMILES for 1-(N-amino-2-methylanilino)ethanol is Cc1ccccc1N(N)C(C)O.
What is the InChIKey of 1-(N-amino-2-methylanilino)ethanol?
The InChIKey is QBRMTPMWFBPWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-5-3-4-6-9(7)11(10)8(2)12/h3-6,8,12H,10H2,1-2H3.
What are the key properties of 1-(N-amino-2-methylanilino)ethanol?
1-(N-amino-2-methylanilino)ethanol has a molecular weight of 166.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-amino-2-methylanilino)ethanol is sourced from PubChem (CID 146479047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).