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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Related Compounds

3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane
CID 167488547
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
3-chloro-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylpropan-1-amine
CID 115215920
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 170866561
1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
CID 143556008
5-butyl-1,2,3-trimethylbenzene;propan-1-ol;3-(3,4,5-trimethylphenyl)propan-1-ol
CID 158029369
N-methyl-N-[(2,3,4,6-tetramethylphenyl)methyl]propan-1-amine
CID 143873938

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).