1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol

C14H21FN2O — CID 65116936

IUPAC1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ccc(N)cc2F)C1
InChIInChI=1S/C14H21FN2O/c1-10-3-2-6-14(18,8-10)9-17-13-5-4-11(16)7-12(13)15/h4-5,7,10,17-18H,2-3,6,8-9,16H2,1H3
InChIKeyCORZGZYOPXDXQV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.76
Rot. Bonds3

About 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol

1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65116936) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65116936
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ccc(N)cc2F)C1
InChIInChI=1S/C14H21FN2O/c1-10-3-2-6-14(18,8-10)9-17-13-5-4-11(16)7-12(13)15/h4-5,7,10,17-18H,2-3,6,8-9,16H2,1H3
InChIKeyCORZGZYOPXDXQV-UHFFFAOYSA-N
XLogP2.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.76
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-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66076891
1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 65116653
1-[(3,4-diaminoanilino)methyl]-3-methylcyclohexan-1-ol
CID 106750915
1-[[(6-aminoquinolin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117031
2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile
CID 78916128
3-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118143
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
2-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzenesulfonamide
CID 79466710
1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65116605
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118138
1-[(4-chloro-5-fluoro-2-nitroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66078193

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol (CID 65116936) is 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2ccc(N)cc2F)C1.
What is the InChIKey of 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is CORZGZYOPXDXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-3-2-6-14(18,8-10)9-17-13-5-4-11(16)7-12(13)15/h4-5,7,10,17-18H,2-3,6,8-9,16H2,1H3.
What are the key properties of 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol?
1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65116936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).