1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol

C18H24FN3O — CID 119047886

IUPAC1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
SMILESCC(C)N(C)c1ccc(CNCC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C18H24FN3O/c1-13(2)22(3)18-9-4-14(11-21-18)10-20-12-17(23)15-5-7-16(19)8-6-15/h4-9,11,13,17,20,23H,10,12H2,1-3H3
InChIKeyIQQYOUGYICMWIG-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.89
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol

1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol (PubChem CID 119047886) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
PubChem CID119047886
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
SMILESCC(C)N(C)c1ccc(CNCC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C18H24FN3O/c1-13(2)22(3)18-9-4-14(11-21-18)10-20-12-17(23)15-5-7-16(19)8-6-15/h4-9,11,13,17,20,23H,10,12H2,1-3H3
InChIKeyIQQYOUGYICMWIG-UHFFFAOYSA-N
XLogP2.89
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794
(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
CID 94181797
5-(ethylaminomethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 62281875
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 62283072
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol
CID 124850799
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 119047871
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol (CID 119047886) is 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol is CC(C)N(C)c1ccc(CNCC(O)c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol?
The InChIKey is IQQYOUGYICMWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-13(2)22(3)18-9-4-14(11-21-18)10-20-12-17(23)15-5-7-16(19)8-6-15/h4-9,11,13,17,20,23H,10,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol?
1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol has a molecular weight of 317.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 119047886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).