1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine

C17H19F2N — CID 82823293

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCc1ccc(F)c(C(N)C(C)(C)c2ccccc2)c1F
InChIInChI=1S/C17H19F2N/c1-11-9-10-13(18)14(15(11)19)16(20)17(2,3)12-7-5-4-6-8-12/h4-10,16H,20H2,1-3H3
InChIKeyGMRAGTYMVHBIFA-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine

1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 82823293) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID82823293
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCc1ccc(F)c(C(N)C(C)(C)c2ccccc2)c1F
InChIInChI=1S/C17H19F2N/c1-11-9-10-13(18)14(15(11)19)16(20)17(2,3)12-7-5-4-6-8-12/h4-10,16H,20H2,1-3H3
InChIKeyGMRAGTYMVHBIFA-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311822
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64770314
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
[1-(3-fluoro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107130751
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 43474238
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine (CID 82823293) is 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine is Cc1ccc(F)c(C(N)C(C)(C)c2ccccc2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is GMRAGTYMVHBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-9-10-13(18)14(15(11)19)16(20)17(2,3)12-7-5-4-6-8-12/h4-10,16H,20H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 82823293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).