N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

C16H18F2N2 — CID 106755255

IUPACN-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c1-3-7-20-16(12-6-8-19-11(2)9-12)14-5-4-13(17)10-15(14)18/h4-6,8-10,16,20H,3,7H2,1-2H3
InChIKeyAUILVUHTDODRKA-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.76
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106755255) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106755255
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c1-3-7-20-16(12-6-8-19-11(2)9-12)14-5-4-13(17)10-15(14)18/h4-6,8-10,16,20H,3,7H2,1-2H3
InChIKeyAUILVUHTDODRKA-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106883579
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755261
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755234
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (CID 106755255) is N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccnc(C)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is AUILVUHTDODRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-7-20-16(12-6-8-19-11(2)9-12)14-5-4-13(17)10-15(14)18/h4-6,8-10,16,20H,3,7H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106755255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).