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

C15H17FN2 — CID 105182059

IUPAC1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCC(N)c2ccncc2F)c1
InChIInChI=1S/C15H17FN2/c1-11-3-2-4-12(9-11)5-6-15(17)13-7-8-18-10-14(13)16/h2-4,7-10,15H,5-6,17H2,1H3
InChIKeyYGWDHHHXKKPWSG-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.16
Rot. Bonds4

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

1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 105182059) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID105182059
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCC(N)c2ccncc2F)c1
InChIInChI=1S/C15H17FN2/c1-11-3-2-4-12(9-11)5-6-15(17)13-7-8-18-10-14(13)16/h2-4,7-10,15H,5-6,17H2,1H3
InChIKeyYGWDHHHXKKPWSG-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
CID 105181868
1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 107130176
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
CID 105141723
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
CID 105094616
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
CID 105189904
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine (CID 105182059) is 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CCC(N)c2ccncc2F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is YGWDHHHXKKPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-3-2-4-12(9-11)5-6-15(17)13-7-8-18-10-14(13)16/h2-4,7-10,15H,5-6,17H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine?
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 244.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105182059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).