N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline

C14H15FN2 — CID 104953842

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cncc(F)c2)c1
InChIInChI=1S/C14H15FN2/c1-10-3-4-11(2)14(5-10)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3
InChIKeyJYIOHWMJTYLDPU-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline

N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline (PubChem CID 104953842) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
PubChem CID104953842
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cncc(F)c2)c1
InChIInChI=1S/C14H15FN2/c1-10-3-4-11(2)14(5-10)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3
InChIKeyJYIOHWMJTYLDPU-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine
CID 58259051
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
N-[(5-fluoro-3-pyridinyl)methyl]-2-(trifluoromethoxy)aniline
CID 104953861
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
CID 126125728
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
N-[(3-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329306

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline (CID 104953842) is N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2cncc(F)c2)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline?
The InChIKey is JYIOHWMJTYLDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-10-3-4-11(2)14(5-10)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline?
N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline has a molecular weight of 230.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 104953842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).