3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol

C13H18F2N2O — CID 106119943

IUPAC3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(F)c(NCC2CCCC(O)C2)c(F)c1
InChIInChI=1S/C13H18F2N2O/c14-11-5-9(16)6-12(15)13(11)17-7-8-2-1-3-10(18)4-8/h5-6,8,10,17-18H,1-4,7,16H2
InChIKeyVDOJJKJSBSCNPR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.51
Rot. Bonds3

About 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol

3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol (PubChem CID 106119943) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
PubChem CID106119943
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(F)c(NCC2CCCC(O)C2)c(F)c1
InChIInChI=1S/C13H18F2N2O/c14-11-5-9(16)6-12(15)13(11)17-7-8-2-1-3-10(18)4-8/h5-6,8,10,17-18H,1-4,7,16H2
InChIKeyVDOJJKJSBSCNPR-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.51
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

3-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 106129529
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
CID 106120053
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclopentan-1-ol
CID 106119511
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
3-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 103703444
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol (CID 106119943) is 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol is Nc1cc(F)c(NCC2CCCC(O)C2)c(F)c1.
What is the InChIKey of 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol?
The InChIKey is VDOJJKJSBSCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-11-5-9(16)6-12(15)13(11)17-7-8-2-1-3-10(18)4-8/h5-6,8,10,17-18H,1-4,7,16H2.
What are the key properties of 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol?
3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106119943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).