N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine

C15H17FN2 — CID 62134095

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
SMILESCc1cc(F)ccc1CNCCc1ccncc1
InChIInChI=1S/C15H17FN2/c1-12-10-15(16)3-2-14(12)11-18-9-6-13-4-7-17-8-5-13/h2-5,7-8,10,18H,6,9,11H2,1H3
InChIKeyVUTVXWHACFWAPY-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.86
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine

N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 62134095) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID62134095
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
SMILESCc1cc(F)ccc1CNCCc1ccncc1
InChIInChI=1S/C15H17FN2/c1-12-10-15(16)3-2-14(12)11-18-9-6-13-4-7-17-8-5-13/h2-5,7-8,10,18H,6,9,11H2,1H3
InChIKeyVUTVXWHACFWAPY-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzonitrile
CID 114479914
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
CID 114479915
N-[(2-bromo-4-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 115556824
N-[(4-fluoro-2-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545797
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
CID 107320083
N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 115967848
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
CID 62134113
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine (CID 62134095) is N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine is Cc1cc(F)ccc1CNCCc1ccncc1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is VUTVXWHACFWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-12-10-15(16)3-2-14(12)11-18-9-6-13-4-7-17-8-5-13/h2-5,7-8,10,18H,6,9,11H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine?
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 244.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 62134095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).