2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol

C12H16F2N2O — CID 114755776

IUPAC2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
SMILESNc1cc(F)c(NCC2(CCO)CC2)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-9-5-8(15)6-10(14)11(9)16-7-12(1-2-12)3-4-17/h5-6,16-17H,1-4,7,15H2
InChIKeyOGZBORCSVBMMAU-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol

2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol (PubChem CID 114755776) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
PubChem CID114755776
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
SMILESNc1cc(F)c(NCC2(CCO)CC2)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-9-5-8(15)6-10(14)11(9)16-7-12(1-2-12)3-4-17/h5-6,16-17H,1-4,7,15H2
InChIKeyOGZBORCSVBMMAU-UHFFFAOYSA-N
XLogP2.12
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.12
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

[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
CID 115454129
2-[1-[(2,6-difluoro-4-nitroanilino)methyl]cyclopropyl]ethanol
CID 104952979
1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine
CID 114124647
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 103518565
2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
CID 114755784
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
2,6-difluoro-1-N-[(2-methylthiolan-2-yl)methyl]benzene-1,4-diamine
CID 80736747
2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
CID 104954541
2-[1-[(5-bromo-4-fluoro-2-nitroanilino)methyl]cyclopropyl]ethanol
CID 114757084
4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755685
3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol (CID 114755776) is 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol is Nc1cc(F)c(NCC2(CCO)CC2)c(F)c1.
What is the InChIKey of 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol?
The InChIKey is OGZBORCSVBMMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-9-5-8(15)6-10(14)11(9)16-7-12(1-2-12)3-4-17/h5-6,16-17H,1-4,7,15H2.
What are the key properties of 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol?
2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol has a molecular weight of 242.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114755776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).