1-(4-fluorophenyl)-N-methylbutan-1-amine

C11H16FN — CID 16644602

IUPAC1-(4-fluorophenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-4-11(13-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyZYEDAUQNAGRRCW-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methylbutan-1-amine

1-(4-fluorophenyl)-N-methylbutan-1-amine (PubChem CID 16644602) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methylbutan-1-amine
PubChem CID16644602
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(4-fluorophenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-4-11(13-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyZYEDAUQNAGRRCW-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
1-(4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82984028
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methylbutan-1-amine (CID 16644602) is 1-(4-fluorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methylbutan-1-amine is CCCC(NC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methylbutan-1-amine?
The InChIKey is ZYEDAUQNAGRRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-11(13-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methylbutan-1-amine?
1-(4-fluorophenyl)-N-methylbutan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 16644602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).