N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C16H19FN2 — CID 63155426

IUPACN-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H19FN2/c1-4-18-16(14-6-5-12(3)19-10-14)13-7-8-15(17)11(2)9-13/h5-10,16,18H,4H2,1-3H3
InChIKeyZUZDJQOVRZPTMX-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 63155426) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID63155426
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H19FN2/c1-4-18-16(14-6-5-12(3)19-10-14)13-7-8-15(17)11(2)9-13/h5-10,16,18H,4H2,1-3H3
InChIKeyZUZDJQOVRZPTMX-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(3-chloro-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 63155972
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 63155426) is N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is ZUZDJQOVRZPTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-4-18-16(14-6-5-12(3)19-10-14)13-7-8-15(17)11(2)9-13/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 258.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63155426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).