2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol

C12H18F2N2O — CID 63735480

IUPAC2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccc(N)cc1C(F)F
InChIInChI=1S/C12H18F2N2O/c1-8(2)16(5-6-17)11-4-3-9(15)7-10(11)12(13)14/h3-4,7-8,12,17H,5-6,15H2,1-2H3
InChIKeyHADZDOJHUKEFPC-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol

2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol (PubChem CID 63735480) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
PubChem CID63735480
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccc(N)cc1C(F)F
InChIInChI=1S/C12H18F2N2O/c1-8(2)16(5-6-17)11-4-3-9(15)7-10(11)12(13)14/h3-4,7-8,12,17H,5-6,15H2,1-2H3
InChIKeyHADZDOJHUKEFPC-UHFFFAOYSA-N
XLogP2.41
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 79483856
2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
CID 63749183
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-propan-2-ylanilino]propan-1-ol
CID 63368684
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077
3-[4-fluoro-2-(1-hydroxyethyl)-N-propan-2-ylanilino]propan-1-ol
CID 54994679
2-[4-amino-2-(difluoromethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 63734078
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
3-amino-4-[2-hydroxyethyl(propan-2-yl)amino]benzoic acid
CID 54994936
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol (CID 63735480) is 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol is CC(C)N(CCO)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol?
The InChIKey is HADZDOJHUKEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-8(2)16(5-6-17)11-4-3-9(15)7-10(11)12(13)14/h3-4,7-8,12,17H,5-6,15H2,1-2H3.
What are the key properties of 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol?
2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol has a molecular weight of 244.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 63735480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).