[2-[(2,5-dimethylanilino)methyl]phenyl]methanol

C16H19NO — CID 687023

IUPAC[2-[(2,5-dimethylanilino)methyl]phenyl]methanol
SMILESCc1ccc(C)c(NCc2ccccc2CO)c1
InChIInChI=1S/C16H19NO/c1-12-7-8-13(2)16(9-12)17-10-14-5-3-4-6-15(14)11-18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyYTXWAHSYKSUPAU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds4

About [2-[(2,5-dimethylanilino)methyl]phenyl]methanol

[2-[(2,5-dimethylanilino)methyl]phenyl]methanol (PubChem CID 687023) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [2-[(2,5-dimethylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(2,5-dimethylanilino)methyl]phenyl]methanol
PubChem CID687023
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[2-[(2,5-dimethylanilino)methyl]phenyl]methanol
SMILESCc1ccc(C)c(NCc2ccccc2CO)c1
InChIInChI=1S/C16H19NO/c1-12-7-8-13(2)16(9-12)17-10-14-5-3-4-6-15(14)11-18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyYTXWAHSYKSUPAU-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylanilino)methyl]phenyl]methanol?
The IUPAC name of [2-[(2,5-dimethylanilino)methyl]phenyl]methanol (CID 687023) is [2-[(2,5-dimethylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [2-[(2,5-dimethylanilino)methyl]phenyl]methanol?
The canonical SMILES for [2-[(2,5-dimethylanilino)methyl]phenyl]methanol is Cc1ccc(C)c(NCc2ccccc2CO)c1.
What is the InChIKey of [2-[(2,5-dimethylanilino)methyl]phenyl]methanol?
The InChIKey is YTXWAHSYKSUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-7-8-13(2)16(9-12)17-10-14-5-3-4-6-15(14)11-18/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of [2-[(2,5-dimethylanilino)methyl]phenyl]methanol?
[2-[(2,5-dimethylanilino)methyl]phenyl]methanol has a molecular weight of 241.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 687023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).