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

C15H17FN2 — CID 81447965

IUPACN-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccncc2C)c(F)c1
InChIInChI=1S/C15H17FN2/c1-3-17-10-12-4-5-14(15(16)8-12)13-6-7-18-9-11(13)2/h4-9,17H,3,10H2,1-2H3
InChIKeyXKKQHWHOSWZNPY-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.31
Rot. Bonds4

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

N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine (PubChem CID 81447965) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
PubChem CID81447965
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccncc2C)c(F)c1
InChIInChI=1S/C15H17FN2/c1-3-17-10-12-4-5-14(15(16)8-12)13-6-7-18-9-11(13)2/h4-9,17H,3,10H2,1-2H3
InChIKeyXKKQHWHOSWZNPY-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
CID 105409491
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine (CID 81447965) is N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccncc2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
The InChIKey is XKKQHWHOSWZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-3-17-10-12-4-5-14(15(16)8-12)13-6-7-18-9-11(13)2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine has a molecular weight of 244.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81447965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).