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

C16H17F2NO — CID 155808119

IUPAC[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol
SMILESCCN(Cc1ccc(F)cc1)c1ccc(CO)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-2-19(10-12-3-6-14(17)7-4-12)15-8-5-13(11-20)16(18)9-15/h3-9,20H,2,10-11H2,1H3
InChIKeyAHPOYWJTQPTVLM-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.48
Rot. Bonds5

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

[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol (PubChem CID 155808119) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol
PubChem CID155808119
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol
SMILESCCN(Cc1ccc(F)cc1)c1ccc(CO)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-2-19(10-12-3-6-14(17)7-4-12)15-8-5-13(11-20)16(18)9-15/h3-9,20H,2,10-11H2,1H3
InChIKeyAHPOYWJTQPTVLM-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol?
The IUPAC name of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol (CID 155808119) is [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol.
What is the SMILES notation for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol?
The canonical SMILES for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol is CCN(Cc1ccc(F)cc1)c1ccc(CO)c(F)c1.
What is the InChIKey of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol?
The InChIKey is AHPOYWJTQPTVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-19(10-12-3-6-14(17)7-4-12)15-8-5-13(11-20)16(18)9-15/h3-9,20H,2,10-11H2,1H3.
What are the key properties of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol?
[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol has a molecular weight of 277.31 g/mol, XLogP of 3.48, 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-fluorophenyl]methanol is sourced from PubChem (CID 155808119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).