1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol

C16H19FN2O2 — CID 114955427

IUPAC1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCc1ccncc1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-12-6-7-18-8-13(12)9-19-10-15(20)11-21-16-4-2-14(17)3-5-16/h2-8,15,19-20H,9-11H2,1H3
InChIKeyMQMASGMBQKKXDF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.06
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol

1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 114955427) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
PubChem CID114955427
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCc1ccncc1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-12-6-7-18-8-13(12)9-19-10-15(20)11-21-16-4-2-14(17)3-5-16/h2-8,15,19-20H,9-11H2,1H3
InChIKeyMQMASGMBQKKXDF-UHFFFAOYSA-N
XLogP2.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955407
1-(4-chlorophenoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699701
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-[(4-methyl-3-pyridinyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 114955607
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 111104680
(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol (CID 114955427) is 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol is Cc1ccncc1CNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is MQMASGMBQKKXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-12-6-7-18-8-13(12)9-19-10-15(20)11-21-16-4-2-14(17)3-5-16/h2-8,15,19-20H,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 290.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 114955427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).