[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol

C14H14F2N2O — CID 63075487

IUPAC[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
SMILESCN(Cc1ccccn1)c1c(F)cc(CO)cc1F
InChIInChI=1S/C14H14F2N2O/c1-18(8-11-4-2-3-5-17-11)14-12(15)6-10(9-19)7-13(14)16/h2-7,19H,8-9H2,1H3
InChIKeyBXAXUJWINVRBHB-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.49
Rot. Bonds4

About [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol

[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol (PubChem CID 63075487) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
PubChem CID63075487
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
SMILESCN(Cc1ccccn1)c1c(F)cc(CO)cc1F
InChIInChI=1S/C14H14F2N2O/c1-18(8-11-4-2-3-5-17-11)14-12(15)6-10(9-19)7-13(14)16/h2-7,19H,8-9H2,1H3
InChIKeyBXAXUJWINVRBHB-UHFFFAOYSA-N
XLogP2.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
CID 63077747
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 114064232
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
[6-[methyl(pyridin-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467294

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol (CID 63075487) is [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol is CN(Cc1ccccn1)c1c(F)cc(CO)cc1F.
What is the InChIKey of [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
The InChIKey is BXAXUJWINVRBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-18(8-11-4-2-3-5-17-11)14-12(15)6-10(9-19)7-13(14)16/h2-7,19H,8-9H2,1H3.
What are the key properties of [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol has a molecular weight of 264.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 63075487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).