N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine

C17H21FN2 — CID 63555093

IUPACN-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)n1)c1cc(F)ccc1C
InChIInChI=1S/C17H21FN2/c1-4-10-19-17(16-7-5-6-13(3)20-16)15-11-14(18)9-8-12(15)2/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeyPWNYAQLCNBPNOT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.93
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine

N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 63555093) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID63555093
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)n1)c1cc(F)ccc1C
InChIInChI=1S/C17H21FN2/c1-4-10-19-17(16-7-5-6-13(3)20-16)15-11-14(18)9-8-12(15)2/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeyPWNYAQLCNBPNOT-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64715289
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 63553819
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(4,5-dimethylthiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115851788
N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63048599
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 105373892

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine (CID 63555093) is N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccc(C)n1)c1cc(F)ccc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is PWNYAQLCNBPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-10-19-17(16-7-5-6-13(3)20-16)15-11-14(18)9-8-12(15)2/h5-9,11,17,19H,4,10H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63555093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).