N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

C15H15Cl2FN2 — CID 79713087

IUPACN-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C15H15Cl2FN2/c1-2-7-19-15(14-6-4-11(18)9-20-14)10-3-5-12(16)13(17)8-10/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyNFYFMEAQCZDULX-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.62
Rot. Bonds5

About N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 79713087) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID79713087
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC NameN-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C15H15Cl2FN2/c1-2-7-19-15(14-6-4-11(18)9-20-14)10-3-5-12(16)13(17)8-10/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyNFYFMEAQCZDULX-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
[(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 107562414
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
[(4-chloro-3-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 105248290
N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79713103

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 79713087) is N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is NFYFMEAQCZDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-2-7-19-15(14-6-4-11(18)9-20-14)10-3-5-12(16)13(17)8-10/h3-6,8-9,15,19H,2,7H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 313.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 79713087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).