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

C17H20FN — CID 112566259

IUPAC3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
SMILESCc1cccc(C)c1CC(F)(CN)c1ccccc1
InChIInChI=1S/C17H20FN/c1-13-7-6-8-14(2)16(13)11-17(18,12-19)15-9-4-3-5-10-15/h3-10H,11-12,19H2,1-2H3
InChIKeyFSMIGPOUXODQAY-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.67
Rot. Bonds4

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

3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine (PubChem CID 112566259) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
PubChem CID112566259
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
SMILESCc1cccc(C)c1CC(F)(CN)c1ccccc1
InChIInChI=1S/C17H20FN/c1-13-7-6-8-14(2)16(13)11-17(18,12-19)15-9-4-3-5-10-15/h3-10H,11-12,19H2,1-2H3
InChIKeyFSMIGPOUXODQAY-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 106871130
2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
CID 122164073
2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine
CID 112566336
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
2-fluoro-2-phenylpent-4-yn-1-amine
CID 112566289
2-fluoro-2-phenyldodecan-1-amine
CID 115918070
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine (CID 112566259) is 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine is Cc1cccc(C)c1CC(F)(CN)c1ccccc1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine?
The InChIKey is FSMIGPOUXODQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-7-6-8-14(2)16(13)11-17(18,12-19)15-9-4-3-5-10-15/h3-10H,11-12,19H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine?
3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine is sourced from PubChem (CID 112566259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).