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

C11H14F2N2O — CID 115454129

IUPAC[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
SMILESNc1cc(F)c(NCC2(CO)CC2)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-8-3-7(14)4-9(13)10(8)15-5-11(6-16)1-2-11/h3-4,15-16H,1-2,5-6,14H2
InChIKeyRBGOXSUMGYBYMM-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.73
Rot. Bonds4

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

[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol (PubChem CID 115454129) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
PubChem CID115454129
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
SMILESNc1cc(F)c(NCC2(CO)CC2)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-8-3-7(14)4-9(13)10(8)15-5-11(6-16)1-2-11/h3-4,15-16H,1-2,5-6,14H2
InChIKeyRBGOXSUMGYBYMM-UHFFFAOYSA-N
XLogP1.73
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol 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-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
CID 114755776
1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine
CID 114124647
[1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]cyclopropyl]methanol
CID 103553357
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159
3-amino-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 113313131
[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
CID 115454133
[1-[(2-amino-5-bromo-4-fluoroanilino)methyl]cyclohexyl]methanol
CID 116736218
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
2,6-difluoro-1-N-[(2-methylthiolan-2-yl)methyl]benzene-1,4-diamine
CID 80736747
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
2-[1-[(2,6-difluoro-4-nitroanilino)methyl]cyclopropyl]ethanol
CID 104952979

Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol (CID 115454129) is [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol is Nc1cc(F)c(NCC2(CO)CC2)c(F)c1.
What is the InChIKey of [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol?
The InChIKey is RBGOXSUMGYBYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-8-3-7(14)4-9(13)10(8)15-5-11(6-16)1-2-11/h3-4,15-16H,1-2,5-6,14H2.
What are the key properties of [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol?
[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol has a molecular weight of 228.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).