N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine

C15H15ClF2N2 — CID 103444844

IUPACN-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H15ClF2N2/c1-2-8-19-15(14-10(16)5-4-9-20-14)13-11(17)6-3-7-12(13)18/h3-7,9,15,19H,2,8H2,1H3
InChIKeyURSGVDJNUXGIPX-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.10
Rot. Bonds5

About N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine

N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine (PubChem CID 103444844) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
PubChem CID103444844
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H15ClF2N2/c1-2-8-19-15(14-10(16)5-4-9-20-14)13-11(17)6-3-7-12(13)18/h3-7,9,15,19H,2,8H2,1H3
InChIKeyURSGVDJNUXGIPX-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 103444823
N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 105395357
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine (CID 103444844) is N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine is CCCNC(c1ncccc1Cl)c1c(F)cccc1F.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The InChIKey is URSGVDJNUXGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-2-8-19-15(14-10(16)5-4-9-20-14)13-11(17)6-3-7-12(13)18/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine has a molecular weight of 296.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 103444844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).