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

C20H26ClFN2O — CID 155806741

IUPAC[2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
SMILESCCN(CC)CCN(Cc1ccc(F)cc1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C20H26ClFN2O/c1-3-23(4-2)11-12-24(14-16-5-8-18(22)9-6-16)19-10-7-17(15-25)20(21)13-19/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3
InChIKeyVCDFUHOXLHPLRV-UHFFFAOYSA-N
MW364.89 g/mol
LogP4.32
Rot. Bonds9

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

[2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol (PubChem CID 155806741) has the molecular formula C20H26ClFN2O and a molecular weight of 364.89 g/mol. Its IUPAC name is [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
PubChem CID155806741
Molecular FormulaC20H26ClFN2O
Molecular Weight364.89 g/mol
Exact Mass364.17
IUPAC Name[2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
SMILESCCN(CC)CCN(Cc1ccc(F)cc1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C20H26ClFN2O/c1-3-23(4-2)11-12-24(14-16-5-8-18(22)9-6-16)19-10-7-17(15-25)20(21)13-19/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3
InChIKeyVCDFUHOXLHPLRV-UHFFFAOYSA-N
XLogP4.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.89
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol (CID 155806741) is [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol is CCN(CC)CCN(Cc1ccc(F)cc1)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol?
The InChIKey is VCDFUHOXLHPLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN2O/c1-3-23(4-2)11-12-24(14-16-5-8-18(22)9-6-16)19-10-7-17(15-25)20(21)13-19/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol?
[2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol has a molecular weight of 364.89 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[2-(diethylamino)ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 155806741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).