2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol

C14H24N2O2 — CID 113393349

IUPAC2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol
SMILESCC(C)Oc1cccc(N(CCO)C(C)C)c1N
InChIInChI=1S/C14H24N2O2/c1-10(2)16(8-9-17)12-6-5-7-13(14(12)15)18-11(3)4/h5-7,10-11,17H,8-9,15H2,1-4H3
InChIKeyRIIXOZJYVFAHPG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.26
Rot. Bonds6

About 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol

2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol (PubChem CID 113393349) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol
PubChem CID113393349
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol
SMILESCC(C)Oc1cccc(N(CCO)C(C)C)c1N
InChIInChI=1S/C14H24N2O2/c1-10(2)16(8-9-17)12-6-5-7-13(14(12)15)18-11(3)4/h5-7,10-11,17H,8-9,15H2,1-4H3
InChIKeyRIIXOZJYVFAHPG-UHFFFAOYSA-N
XLogP2.26
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
CID 113393311
1-N-methyl-1-N-[2-(methylamino)ethyl]-3-propan-2-yloxybenzene-1,2-diamine
CID 113393377
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
ethyl 2-amino-3-[2-hydroxyethyl(pentan-3-yl)amino]benzoate
CID 115545495
3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
CID 83002102
1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
CID 113388856
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
CID 107231927
2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
CID 104551156
1-N-(2-methoxyethyl)-3-methylsulfonyl-1-N-propan-2-ylbenzene-1,2-diamine
CID 82948630
2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
CID 63735480

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol?
The IUPAC name of 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol (CID 113393349) is 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol is CC(C)Oc1cccc(N(CCO)C(C)C)c1N.
What is the InChIKey of 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol?
The InChIKey is RIIXOZJYVFAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16(8-9-17)12-6-5-7-13(14(12)15)18-11(3)4/h5-7,10-11,17H,8-9,15H2,1-4H3.
What are the key properties of 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol?
2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol has a molecular weight of 252.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-propan-2-yl-3-propan-2-yloxyanilino)ethanol is sourced from PubChem (CID 113393349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).