[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol

C25H29FN2O — CID 143170372

IUPAC[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol
SMILESCN(C)CCN(Cc1cccc(CO)c1)Cc1ccccc1-c1cccc(F)c1
InChIInChI=1S/C25H29FN2O/c1-27(2)13-14-28(17-20-7-5-8-21(15-20)19-29)18-23-9-3-4-12-25(23)22-10-6-11-24(26)16-22/h3-12,15-16,29H,13-14,17-19H2,1-2H3
InChIKeyNXLFUSFMZMRZKJ-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.55
Rot. Bonds9

About [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol

[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol (PubChem CID 143170372) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol
PubChem CID143170372
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol
SMILESCN(C)CCN(Cc1cccc(CO)c1)Cc1ccccc1-c1cccc(F)c1
InChIInChI=1S/C25H29FN2O/c1-27(2)13-14-28(17-20-7-5-8-21(15-20)19-29)18-23-9-3-4-12-25(23)22-10-6-11-24(26)16-22/h3-12,15-16,29H,13-14,17-19H2,1-2H3
InChIKeyNXLFUSFMZMRZKJ-UHFFFAOYSA-N
XLogP4.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol (CID 143170372) is [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol is CN(C)CCN(Cc1cccc(CO)c1)Cc1ccccc1-c1cccc(F)c1.
What is the InChIKey of [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol?
The InChIKey is NXLFUSFMZMRZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-27(2)13-14-28(17-20-7-5-8-21(15-20)19-29)18-23-9-3-4-12-25(23)22-10-6-11-24(26)16-22/h3-12,15-16,29H,13-14,17-19H2,1-2H3.
What are the key properties of [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol?
[3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol has a molecular weight of 392.52 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(dimethylamino)ethyl-[[2-(3-fluorophenyl)phenyl]methyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 143170372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).