N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine

C15H17FN2O2S — CID 105038426

IUPACN-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(S(C)(=O)=O)cc1)c1ccncc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-18-15(13-8-9-17-10-14(13)16)11-4-6-12(7-5-11)21(2,19)20/h4-10,15,18H,3H2,1-2H3
InChIKeyAXZRTNQNAWLCKG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds5

About N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine (PubChem CID 105038426) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
PubChem CID105038426
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(S(C)(=O)=O)cc1)c1ccncc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-18-15(13-8-9-17-10-14(13)16)11-4-6-12(7-5-11)21(2,19)20/h4-10,15,18H,3H2,1-2H3
InChIKeyAXZRTNQNAWLCKG-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43489004
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105038168
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine
CID 105006568

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine (CID 105038426) is N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine is CCNC(c1ccc(S(C)(=O)=O)cc1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine?
The InChIKey is AXZRTNQNAWLCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-18-15(13-8-9-17-10-14(13)16)11-4-6-12(7-5-11)21(2,19)20/h4-10,15,18H,3H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine has a molecular weight of 308.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 105038426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).