2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile

C15H19FN2O — CID 78916128

IUPAC2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile
SMILESCC1CCCC(O)(CNc2cccc(F)c2C#N)C1
InChIInChI=1S/C15H19FN2O/c1-11-4-3-7-15(19,8-11)10-18-14-6-2-5-13(16)12(14)9-17/h2,5-6,11,18-19H,3-4,7-8,10H2,1H3
InChIKeySFLMMXWOQXULNQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.05
Rot. Bonds3

About 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile

2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile (PubChem CID 78916128) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile
PubChem CID78916128
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile
SMILESCC1CCCC(O)(CNc2cccc(F)c2C#N)C1
InChIInChI=1S/C15H19FN2O/c1-11-4-3-7-15(19,8-11)10-18-14-6-2-5-13(16)12(14)9-17/h2,5-6,11,18-19H,3-4,7-8,10H2,1H3
InChIKeySFLMMXWOQXULNQ-UHFFFAOYSA-N
XLogP3.05
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(4-hydroxy-1,1-dioxothian-4-yl)methylamino]benzonitrile
CID 86769475
1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 65116936
2-fluoro-6-[(1-methylsulfanylcyclopropyl)methylamino]benzonitrile
CID 107269115
2-bromo-6-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 114884527
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
CID 62301831
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
CID 133491706
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 79838660
3-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118143
1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 65116653
1-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66076891
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile (CID 78916128) is 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile is CC1CCCC(O)(CNc2cccc(F)c2C#N)C1.
What is the InChIKey of 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile?
The InChIKey is SFLMMXWOQXULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11-4-3-7-15(19,8-11)10-18-14-6-2-5-13(16)12(14)9-17/h2,5-6,11,18-19H,3-4,7-8,10H2,1H3.
What are the key properties of 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile?
2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile is sourced from PubChem (CID 78916128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).