N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine

C14H15F2N3 — CID 105102198

IUPACN-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1cncc(F)c1
InChIInChI=1S/C14H15F2N3/c1-2-3-19-14(10-4-12(15)8-17-6-10)11-5-13(16)9-18-7-11/h4-9,14,19H,2-3H2,1H3
InChIKeyWMLMBWAMRPQISA-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.84
Rot. Bonds5

About N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine

N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105102198) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
PubChem CID105102198
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1cncc(F)c1
InChIInChI=1S/C14H15F2N3/c1-2-3-19-14(10-4-12(15)8-17-6-10)11-5-13(16)9-18-7-11/h4-9,14,19H,2-3H2,1H3
InChIKeyWMLMBWAMRPQISA-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805273
N-[(3-fluoro-4-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804098
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
N-[(4-chloro-3-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105164514
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765

Frequently Asked Questions

What is the IUPAC name of N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine (CID 105102198) is N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)c1cncc(F)c1.
What is the InChIKey of N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is WMLMBWAMRPQISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-3-19-14(10-4-12(15)8-17-6-10)11-5-13(16)9-18-7-11/h4-9,14,19H,2-3H2,1H3.
What are the key properties of N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 263.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105102198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).