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

C16H17F2N — CID 82822872

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
SMILESCc1ccc(F)c(C(N)CCc2ccccc2)c1F
InChIInChI=1S/C16H17F2N/c1-11-7-9-13(17)15(16(11)18)14(19)10-8-12-5-3-2-4-6-12/h2-7,9,14H,8,10,19H2,1H3
InChIKeyLNCAVBGILJVBCV-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.91
Rot. Bonds4

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

1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine (PubChem CID 82822872) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
PubChem CID82822872
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
SMILESCc1ccc(F)c(C(N)CCc2ccccc2)c1F
InChIInChI=1S/C16H17F2N/c1-11-7-9-13(17)15(16(11)18)14(19)10-8-12-5-3-2-4-6-12/h2-7,9,14H,8,10,19H2,1H3
InChIKeyLNCAVBGILJVBCV-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1S)-1-(2,6-difluoro-3-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171229550
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene
CID 82815838
1-(2,6-difluoro-3-methylphenyl)but-3-yn-1-amine
CID 114977890
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine (CID 82822872) is 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine is Cc1ccc(F)c(C(N)CCc2ccccc2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine?
The InChIKey is LNCAVBGILJVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-7-9-13(17)15(16(11)18)14(19)10-8-12-5-3-2-4-6-12/h2-7,9,14H,8,10,19H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.91, 4 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 82822872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).