1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol

C17H19F2NO — CID 62629838

IUPAC1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCN(CCC(O)c1cccc(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyLVBHXWJSSUMMOY-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol

1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol (PubChem CID 62629838) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
PubChem CID62629838
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCN(CCC(O)c1cccc(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyLVBHXWJSSUMMOY-UHFFFAOYSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 62630143
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
CID 55098979
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol (CID 62629838) is 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol is CN(CCC(O)c1cccc(F)c1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
The InChIKey is LVBHXWJSSUMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11,17,21H,9-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol?
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol has a molecular weight of 291.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 62629838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).