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

C17H19ClFNO — CID 155808118

IUPAC[2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol
SMILESCCCN(Cc1ccc(F)cc1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-2-9-20(11-13-3-6-15(19)7-4-13)16-8-5-14(12-21)17(18)10-16/h3-8,10,21H,2,9,11-12H2,1H3
InChIKeyAFFZPZDRKPVQEQ-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.39
Rot. Bonds6

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

[2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol (PubChem CID 155808118) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol
PubChem CID155808118
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name[2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol
SMILESCCCN(Cc1ccc(F)cc1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-2-9-20(11-13-3-6-15(19)7-4-13)16-8-5-14(12-21)17(18)10-16/h3-8,10,21H,2,9,11-12H2,1H3
InChIKeyAFFZPZDRKPVQEQ-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.39
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-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol (CID 155808118) is [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol is CCCN(Cc1ccc(F)cc1)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol?
The InChIKey is AFFZPZDRKPVQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-9-20(11-13-3-6-15(19)7-4-13)16-8-5-14(12-21)17(18)10-16/h3-8,10,21H,2,9,11-12H2,1H3.
What are the key properties of [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol?
[2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol has a molecular weight of 307.80 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(4-fluorophenyl)methyl-propylamino]phenyl]methanol is sourced from PubChem (CID 155808118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).