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

C19H24FN — CID 106882518

IUPACN-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1c(C)cc(C)cc1F)c1ccccc1
InChIInChI=1S/C19H24FN/c1-4-21-19(16-8-6-5-7-9-16)11-10-17-15(3)12-14(2)13-18(17)20/h5-9,12-13,19,21H,4,10-11H2,1-3H3
InChIKeyWXYFVJMLDMYHLK-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.73
Rot. Bonds6

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

N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine (PubChem CID 106882518) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
PubChem CID106882518
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1c(C)cc(C)cc1F)c1ccccc1
InChIInChI=1S/C19H24FN/c1-4-21-19(16-8-6-5-7-9-16)11-10-17-15(3)12-14(2)13-18(17)20/h5-9,12-13,19,21H,4,10-11H2,1-3H3
InChIKeyWXYFVJMLDMYHLK-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-3-phenylpropyl)-1-fluoro-3,5-dimethylbenzene
CID 106882583
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
N-ethyl-1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62048044
3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 106882896
1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
CID 106882504
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
CID 64500356
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine (CID 106882518) is N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine is CCNC(CCc1c(C)cc(C)cc1F)c1ccccc1.
What is the InChIKey of N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine?
The InChIKey is WXYFVJMLDMYHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-21-19(16-8-6-5-7-9-16)11-10-17-15(3)12-14(2)13-18(17)20/h5-9,12-13,19,21H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine?
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 106882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).