1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine

C11H16FN — CID 60929376

IUPAC1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C11H16FN/c1-4-11(13-3)9-5-6-10(12)8(2)7-9/h5-7,11,13H,4H2,1-3H3
InChIKeyAIEXGOJSJCXOQT-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine

1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine (PubChem CID 60929376) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
PubChem CID60929376
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C11H16FN/c1-4-11(13-3)9-5-6-10(12)8(2)7-9/h5-7,11,13H,4H2,1-3H3
InChIKeyAIEXGOJSJCXOQT-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine
CID 145416557
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
1-(4-fluoro-3-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79746883
1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105143030
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine (CID 60929376) is 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine is CCC(NC)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is AIEXGOJSJCXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-11(13-3)9-5-6-10(12)8(2)7-9/h5-7,11,13H,4H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine?
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 60929376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).