N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine

C15H16F2N2 — CID 105145632

IUPACN-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cccnc1C
InChIInChI=1S/C15H16F2N2/c1-3-18-15(12-5-4-8-19-10(12)2)11-6-7-13(16)14(17)9-11/h4-9,15,18H,3H2,1-2H3
InChIKeyUXBTVFMOAZEVIT-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.37
Rot. Bonds4

About N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine

N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105145632) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105145632
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cccnc1C
InChIInChI=1S/C15H16F2N2/c1-3-18-15(12-5-4-8-19-10(12)2)11-6-7-13(16)14(17)9-11/h4-9,15,18H,3H2,1-2H3
InChIKeyUXBTVFMOAZEVIT-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105140352
N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 115605106
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (CID 105145632) is N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1cccnc1C.
What is the InChIKey of N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is UXBTVFMOAZEVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-3-18-15(12-5-4-8-19-10(12)2)11-6-7-13(16)14(17)9-11/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 262.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105145632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).