2-(4-amino-2-methylanilino)ethanol;hydrate

C9H16N2O2 — CID 70505046

IUPAC2-(4-amino-2-methylanilino)ethanol;hydrate
SMILESCc1cc(N)ccc1NCCO.O
InChIInChI=1S/C9H14N2O.H2O/c1-7-6-8(10)2-3-9(7)11-4-5-12;/h2-3,6,11-12H,4-5,10H2,1H3;1H2
InChIKeyXNLQJJRPLIRCBE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds3

About 2-(4-amino-2-methylanilino)ethanol;hydrate

2-(4-amino-2-methylanilino)ethanol;hydrate (PubChem CID 70505046) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(4-amino-2-methylanilino)ethanol;hydrate.

Molecular Properties

Compound Name2-(4-amino-2-methylanilino)ethanol;hydrate
PubChem CID70505046
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(4-amino-2-methylanilino)ethanol;hydrate
SMILESCc1cc(N)ccc1NCCO.O
InChIInChI=1S/C9H14N2O.H2O/c1-7-6-8(10)2-3-9(7)11-4-5-12;/h2-3,6,11-12H,4-5,10H2,1H3;1H2
InChIKeyXNLQJJRPLIRCBE-UHFFFAOYSA-N
XLogP0.16
TPSA89.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide
CID 58586704
2-(4-amino-2-ethylanilino)ethanol
CID 54391550
3-(4-amino-2-methylanilino)propanoate
CID 23104650
2-[4-amino-2-(hydroxymethyl)anilino]ethanol
CID 163969372
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
CID 23104306
3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
CID 106167522
aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride
CID 174968035
1-N-[3-(4-amino-2-methylanilino)-2,2-dimethylpropyl]-2-methylbenzene-1,4-diamine;tetrahydrochloride
CID 69433542
ethyl 4-(4-amino-2-methylanilino)butanoate
CID 58596159
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
bis[3-(4-amino-2-methylanilino)propyl]-ethyl-methylazanium
CID 89397376

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylanilino)ethanol;hydrate?
The IUPAC name of 2-(4-amino-2-methylanilino)ethanol;hydrate (CID 70505046) is 2-(4-amino-2-methylanilino)ethanol;hydrate.
What is the SMILES notation for 2-(4-amino-2-methylanilino)ethanol;hydrate?
The canonical SMILES for 2-(4-amino-2-methylanilino)ethanol;hydrate is Cc1cc(N)ccc1NCCO.O.
What is the InChIKey of 2-(4-amino-2-methylanilino)ethanol;hydrate?
The InChIKey is XNLQJJRPLIRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.H2O/c1-7-6-8(10)2-3-9(7)11-4-5-12;/h2-3,6,11-12H,4-5,10H2,1H3;1H2.
What are the key properties of 2-(4-amino-2-methylanilino)ethanol;hydrate?
2-(4-amino-2-methylanilino)ethanol;hydrate has a molecular weight of 184.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylanilino)ethanol;hydrate is sourced from PubChem (CID 70505046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).