[2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol

C17H19ClFNO — CID 155811635

IUPAC[2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol
SMILESCCN(c1ccc(CO)c(Cl)c1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFNO/c1-3-20(12(2)13-4-7-15(19)8-5-13)16-9-6-14(11-21)17(18)10-16/h4-10,12,21H,3,11H2,1-2H3
InChIKeyJWJPJQOWOOFNMJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.56
Rot. Bonds5

About [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol

[2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol (PubChem CID 155811635) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol
PubChem CID155811635
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name[2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol
SMILESCCN(c1ccc(CO)c(Cl)c1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFNO/c1-3-20(12(2)13-4-7-15(19)8-5-13)16-9-6-14(11-21)17(18)10-16/h4-10,12,21H,3,11H2,1-2H3
InChIKeyJWJPJQOWOOFNMJ-UHFFFAOYSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.56
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-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol (CID 155811635) is [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol is CCN(c1ccc(CO)c(Cl)c1)C(C)c1ccc(F)cc1.
What is the InChIKey of [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol?
The InChIKey is JWJPJQOWOOFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-20(12(2)13-4-7-15(19)8-5-13)16-9-6-14(11-21)17(18)10-16/h4-10,12,21H,3,11H2,1-2H3.
What are the key properties of [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol?
[2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol has a molecular weight of 307.80 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]phenyl]methanol is sourced from PubChem (CID 155811635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).