[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol

C17H20FNO — CID 155806740

IUPAC[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol
SMILESCCN(Cc1ccc(F)cc1)c1ccc(CO)c(C)c1
InChIInChI=1S/C17H20FNO/c1-3-19(11-14-4-7-16(18)8-5-14)17-9-6-15(12-20)13(2)10-17/h4-10,20H,3,11-12H2,1-2H3
InChIKeyFVVRAXOVEOAPPK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds5

About [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol

[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol (PubChem CID 155806740) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol
PubChem CID155806740
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol
SMILESCCN(Cc1ccc(F)cc1)c1ccc(CO)c(C)c1
InChIInChI=1S/C17H20FNO/c1-3-19(11-14-4-7-16(18)8-5-14)17-9-6-15(12-20)13(2)10-17/h4-10,20H,3,11-12H2,1-2H3
InChIKeyFVVRAXOVEOAPPK-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol?
The IUPAC name of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol (CID 155806740) is [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol?
The canonical SMILES for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol is CCN(Cc1ccc(F)cc1)c1ccc(CO)c(C)c1.
What is the InChIKey of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol?
The InChIKey is FVVRAXOVEOAPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-19(11-14-4-7-16(18)8-5-14)17-9-6-15(12-20)13(2)10-17/h4-10,20H,3,11-12H2,1-2H3.
What are the key properties of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol?
[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol has a molecular weight of 273.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol is sourced from PubChem (CID 155806740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).