3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine

C18H22FN — CID 106882896

IUPAC3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(C)cc(C)cc1F)c1ccccc1
InChIInChI=1S/C18H22FN/c1-13-9-14(2)17(18(19)10-13)11-16(12-20-3)15-7-5-4-6-8-15/h4-10,16,20H,11-12H2,1-3H3
InChIKeyLOABRZJDNYSNTQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.99
Rot. Bonds5

About 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine

3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 106882896) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
PubChem CID106882896
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(C)cc(C)cc1F)c1ccccc1
InChIInChI=1S/C18H22FN/c1-13-9-14(2)17(18(19)10-13)11-16(12-20-3)15-7-5-4-6-8-15/h4-10,16,20H,11-12H2,1-3H3
InChIKeyLOABRZJDNYSNTQ-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine (CID 106882896) is 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1c(C)cc(C)cc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is LOABRZJDNYSNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-9-14(2)17(18(19)10-13)11-16(12-20-3)15-7-5-4-6-8-15/h4-10,16,20H,11-12H2,1-3H3.
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine?
3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 106882896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).