N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine

C17H20BrFN2 — CID 106881960

IUPACN-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cn1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H20BrFN2/c1-4-7-20-17(15-6-5-13(18)10-21-15)16-12(3)8-11(2)9-14(16)19/h5-6,8-10,17,20H,4,7H2,1-3H3
InChIKeyAKQNBHJSQDQHSA-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.69
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine

N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine (PubChem CID 106881960) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
PubChem CID106881960
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC NameN-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cn1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H20BrFN2/c1-4-7-20-17(15-6-5-13(18)10-21-15)16-12(3)8-11(2)9-14(16)19/h5-6,8-10,17,20H,4,7H2,1-3H3
InChIKeyAKQNBHJSQDQHSA-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881958
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115606122
N-[(2-fluoro-4,6-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106883993
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106883535
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106883579
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
N-[(5-bromo-2-pyridinyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 113393885
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine (CID 106881960) is N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cn1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is AKQNBHJSQDQHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-4-7-20-17(15-6-5-13(18)10-21-15)16-12(3)8-11(2)9-14(16)19/h5-6,8-10,17,20H,4,7H2,1-3H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 351.26 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106881960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).