1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine

C15H17FN2O — CID 105181868

IUPAC1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCCC(N)c2ccncc2F)c1
InChIInChI=1S/C15H17FN2O/c1-11-3-2-4-12(9-11)19-8-6-15(17)13-5-7-18-10-14(13)16/h2-5,7,9-10,15H,6,8,17H2,1H3
InChIKeyXZIJXAHHSTUBKV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.00
Rot. Bonds5

About 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine

1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine (PubChem CID 105181868) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
PubChem CID105181868
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCCC(N)c2ccncc2F)c1
InChIInChI=1S/C15H17FN2O/c1-11-3-2-4-12(9-11)19-8-6-15(17)13-5-7-18-10-14(13)16/h2-5,7,9-10,15H,6,8,17H2,1H3
InChIKeyXZIJXAHHSTUBKV-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
CID 105182059
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105314840
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine (CID 105181868) is 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine is Cc1cccc(OCCC(N)c2ccncc2F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is XZIJXAHHSTUBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-3-2-4-12(9-11)19-8-6-15(17)13-5-7-18-10-14(13)16/h2-5,7,9-10,15H,6,8,17H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine?
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 260.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 105181868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).