3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine

C16H17F2N — CID 114930765

IUPAC3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1c(F)cccc1F)C(N)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11,16H,10,19H2,1H3
InChIKeyLWIMJCFAGIYLNG-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.84
Rot. Bonds4

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

3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 114930765) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID114930765
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1c(F)cccc1F)C(N)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11,16H,10,19H2,1H3
InChIKeyLWIMJCFAGIYLNG-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115859848
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine (CID 114930765) is 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine is CC(Cc1c(F)cccc1F)C(N)c1ccccc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is LWIMJCFAGIYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine?
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 114930765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).