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

C14H20F2N2O — CID 65116653

IUPAC1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2c(N)ccc(F)c2F)C1
InChIInChI=1S/C14H20F2N2O/c1-9-3-2-6-14(19,7-9)8-18-13-11(17)5-4-10(15)12(13)16/h4-5,9,18-19H,2-3,6-8,17H2,1H3
InChIKeyBIRJQPASSWJHIB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.90
Rot. Bonds3

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

1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65116653) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65116653
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2c(N)ccc(F)c2F)C1
InChIInChI=1S/C14H20F2N2O/c1-9-3-2-6-14(19,7-9)8-18-13-11(17)5-4-10(15)12(13)16/h4-5,9,18-19H,2-3,6-8,17H2,1H3
InChIKeyBIRJQPASSWJHIB-UHFFFAOYSA-N
XLogP2.90
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.90
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-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118143
1-[(3,4-diaminoanilino)methyl]-3-methylcyclohexan-1-ol
CID 106750915
1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 65116936
1-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66076891
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118138
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
2-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzenesulfonamide
CID 79466710
2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile
CID 78916128
3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 62533166
1-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 104924128
1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65116605
1-[[(6-aminoquinolin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117031

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol (CID 65116653) is 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2c(N)ccc(F)c2F)C1.
What is the InChIKey of 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is BIRJQPASSWJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9-3-2-6-14(19,7-9)8-18-13-11(17)5-4-10(15)12(13)16/h4-5,9,18-19H,2-3,6-8,17H2,1H3.
What are the key properties of 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol?
1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).