1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine

C17H28FN — CID 106881532

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H28FN/c1-7-8-19-15(11-17(4,5)6)16-13(3)9-12(2)10-14(16)18/h9-10,15,19H,7-8,11H2,1-6H3
InChIKeyVWVRZZLFZOWNPY-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.92
Rot. Bonds5

About 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine

1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 106881532) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID106881532
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H28FN/c1-7-8-19-15(11-17(4,5)6)16-13(3)9-12(2)10-14(16)18/h9-10,15,19H,7-8,11H2,1-6H3
InChIKeyVWVRZZLFZOWNPY-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
CID 106881429
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (CID 106881532) is 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is VWVRZZLFZOWNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-7-8-19-15(11-17(4,5)6)16-13(3)9-12(2)10-14(16)18/h9-10,15,19H,7-8,11H2,1-6H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 106881532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).