2-(3-amino-N,5-dimethylanilino)ethanol

C10H16N2O — CID 112647088

IUPAC2-(3-amino-N,5-dimethylanilino)ethanol
SMILESCc1cc(N)cc(N(C)CCO)c1
InChIInChI=1S/C10H16N2O/c1-8-5-9(11)7-10(6-8)12(2)3-4-13/h5-7,13H,3-4,11H2,1-2H3
InChIKeyDQZZWYFFCQVQFK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.01
Rot. Bonds3

About 2-(3-amino-N,5-dimethylanilino)ethanol

2-(3-amino-N,5-dimethylanilino)ethanol (PubChem CID 112647088) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3-amino-N,5-dimethylanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-N,5-dimethylanilino)ethanol
PubChem CID112647088
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(3-amino-N,5-dimethylanilino)ethanol
SMILESCc1cc(N)cc(N(C)CCO)c1
InChIInChI=1S/C10H16N2O/c1-8-5-9(11)7-10(6-8)12(2)3-4-13/h5-7,13H,3-4,11H2,1-2H3
InChIKeyDQZZWYFFCQVQFK-UHFFFAOYSA-N
XLogP1.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N,5-dimethylanilino)ethanol?
The IUPAC name of 2-(3-amino-N,5-dimethylanilino)ethanol (CID 112647088) is 2-(3-amino-N,5-dimethylanilino)ethanol.
What is the SMILES notation for 2-(3-amino-N,5-dimethylanilino)ethanol?
The canonical SMILES for 2-(3-amino-N,5-dimethylanilino)ethanol is Cc1cc(N)cc(N(C)CCO)c1.
What is the InChIKey of 2-(3-amino-N,5-dimethylanilino)ethanol?
The InChIKey is DQZZWYFFCQVQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-5-9(11)7-10(6-8)12(2)3-4-13/h5-7,13H,3-4,11H2,1-2H3.
What are the key properties of 2-(3-amino-N,5-dimethylanilino)ethanol?
2-(3-amino-N,5-dimethylanilino)ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N,5-dimethylanilino)ethanol is sourced from PubChem (CID 112647088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).