1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol

C19H25FN2O — CID 70561213

IUPAC1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
SMILESCNCc1ccc(CC(C)NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H25FN2O/c1-14(10-15-6-8-16(9-7-15)12-21-2)22-13-19(23)17-4-3-5-18(20)11-17/h3-9,11,14,19,21-23H,10,12-13H2,1-2H3
InChIKeyOZFAIZATCOGKMC-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.80
Rot. Bonds8

About 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol

1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol (PubChem CID 70561213) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
PubChem CID70561213
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
SMILESCNCc1ccc(CC(C)NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H25FN2O/c1-14(10-15-6-8-16(9-7-15)12-21-2)22-13-19(23)17-4-3-5-18(20)11-17/h3-9,11,14,19,21-23H,10,12-13H2,1-2H3
InChIKeyOZFAIZATCOGKMC-UHFFFAOYSA-N
XLogP2.80
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol (CID 70561213) is 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol is CNCc1ccc(CC(C)NCC(O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The InChIKey is OZFAIZATCOGKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-14(10-15-6-8-16(9-7-15)12-21-2)22-13-19(23)17-4-3-5-18(20)11-17/h3-9,11,14,19,21-23H,10,12-13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol has a molecular weight of 316.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 70561213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).