N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine

C15H16F2N2 — CID 104738829

IUPACN-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccncc2F)cc1F
InChIInChI=1S/C15H16F2N2/c1-10(2)19-8-12-4-3-11(7-14(12)16)13-5-6-18-9-15(13)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeyGBIXTYMDLFYENJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.52
Rot. Bonds4

About N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine

N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine (PubChem CID 104738829) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
PubChem CID104738829
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccncc2F)cc1F
InChIInChI=1S/C15H16F2N2/c1-10(2)19-8-12-4-3-11(7-14(12)16)13-5-6-18-9-15(13)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeyGBIXTYMDLFYENJ-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
CID 61077044
N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66097006
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66007664
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115504145
N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 66272311
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine
CID 62812806
N-[[4-(5-bromo-3-methyltriazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 106463333
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine (CID 104738829) is N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccncc2F)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine?
The InChIKey is GBIXTYMDLFYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10(2)19-8-12-4-3-11(7-14(12)16)13-5-6-18-9-15(13)17/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine?
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine has a molecular weight of 262.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 104738829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).