[2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol

C16H16Cl2FNO — CID 155805371

IUPAC[2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol
SMILESCCN(Cc1c(F)cccc1Cl)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20(9-13-14(17)4-3-5-16(13)19)12-7-6-11(10-21)15(18)8-12/h3-8,21H,2,9-10H2,1H3
InChIKeyOTRKGXFDLCVIET-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.65
Rot. Bonds5

About [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol

[2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol (PubChem CID 155805371) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol
PubChem CID155805371
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name[2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol
SMILESCCN(Cc1c(F)cccc1Cl)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20(9-13-14(17)4-3-5-16(13)19)12-7-6-11(10-21)15(18)8-12/h3-8,21H,2,9-10H2,1H3
InChIKeyOTRKGXFDLCVIET-UHFFFAOYSA-N
XLogP4.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.65
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 [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol (CID 155805371) is [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol is CCN(Cc1c(F)cccc1Cl)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol?
The InChIKey is OTRKGXFDLCVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-20(9-13-14(17)4-3-5-16(13)19)12-7-6-11(10-21)15(18)8-12/h3-8,21H,2,9-10H2,1H3.
What are the key properties of [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol?
[2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol has a molecular weight of 328.21 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]phenyl]methanol is sourced from PubChem (CID 155805371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).