3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine

C15H24FN — CID 137468109

IUPAC3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCc1cc(C)c(C)c(F)c1
InChIInChI=1S/C15H24FN/c1-5-8-17(4)9-6-7-14-10-12(2)13(3)15(16)11-14/h10-11H,5-9H2,1-4H3
InChIKeyKMKNPOQULWQEPB-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.72
Rot. Bonds6

About 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine

3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine (PubChem CID 137468109) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine
PubChem CID137468109
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCc1cc(C)c(C)c(F)c1
InChIInChI=1S/C15H24FN/c1-5-8-17(4)9-6-7-14-10-12(2)13(3)15(16)11-14/h10-11H,5-9H2,1-4H3
InChIKeyKMKNPOQULWQEPB-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine (CID 137468109) is 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine is CCCN(C)CCCc1cc(C)c(C)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine?
The InChIKey is KMKNPOQULWQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-8-17(4)9-6-7-14-10-12(2)13(3)15(16)11-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine?
3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4,5-dimethylphenyl)-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 137468109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).