N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine

C15H16F2N2 — CID 82822617

IUPACN-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2/c1-3-19-15(11-6-8-18-9-7-11)13-12(16)5-4-10(2)14(13)17/h4-9,15,19H,3H2,1-2H3
InChIKeyVRXKKFAWHIOOHP-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.37
Rot. Bonds4

About N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine

N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine (PubChem CID 82822617) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
PubChem CID82822617
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2/c1-3-19-15(11-6-8-18-9-7-11)13-12(16)5-4-10(2)14(13)17/h4-9,15,19H,3H2,1-2H3
InChIKeyVRXKKFAWHIOOHP-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-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
N-[(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065970
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82797902
N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 107946591
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine (CID 82822617) is N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine is CCNC(c1ccncc1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine?
The InChIKey is VRXKKFAWHIOOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-3-19-15(11-6-8-18-9-7-11)13-12(16)5-4-10(2)14(13)17/h4-9,15,19H,3H2,1-2H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]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-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 82822617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).