1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol

C17H19ClFNO2 — CID 110010662

IUPAC1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO2/c1-22-11-16(21)10-20-17(12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,16-17,20-21H,10-11H2,1H3
InChIKeyZEZRFOLRJNNZIY-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.17
Rot. Bonds7

About 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol

1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol (PubChem CID 110010662) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol
PubChem CID110010662
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO2/c1-22-11-16(21)10-20-17(12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,16-17,20-21H,10-11H2,1H3
InChIKeyZEZRFOLRJNNZIY-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol (CID 110010662) is 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol is COCC(O)CNC(c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol?
The InChIKey is ZEZRFOLRJNNZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-22-11-16(21)10-20-17(12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,16-17,20-21H,10-11H2,1H3.
What are the key properties of 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol?
1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol has a molecular weight of 323.80 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 110010662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).