1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C16H19FN2 — CID 105143030

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H19FN2/c1-12-11-13(6-8-15(12)17)16(18-2)9-7-14-5-3-4-10-19-14/h3-6,8,10-11,16,18H,7,9H2,1-2H3
InChIKeyDMGMSJMZIONMRO-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105143030) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105143030
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H19FN2/c1-12-11-13(6-8-15(12)17)16(18-2)9-7-14-5-3-4-10-19-14/h3-6,8,10-11,16,18H,7,9H2,1-2H3
InChIKeyDMGMSJMZIONMRO-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106883930
[1-(3,4-difluorophenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 105304967
N-methyl-1-(5-methyl-3-pyridinyl)-3-pyridin-2-ylpropan-1-amine
CID 105173940
N-methyl-1-(5-methylthiophen-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105155581
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62120076
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105143030) is 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is DMGMSJMZIONMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-11-13(6-8-15(12)17)16(18-2)9-7-14-5-3-4-10-19-14/h3-6,8,10-11,16,18H,7,9H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105143030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).