2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine

C16H17F2N — CID 114833839

IUPAC2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(F)cc1C(C)(N)Cc1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-11-3-6-14(18)9-15(11)16(2,19)10-12-4-7-13(17)8-5-12/h3-9H,10,19H2,1-2H3
InChIKeyOWDWVAHCMOJXST-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.69
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine

2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine (PubChem CID 114833839) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
PubChem CID114833839
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(F)cc1C(C)(N)Cc1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-11-3-6-14(18)9-15(11)16(2,19)10-12-4-7-13(17)8-5-12/h3-9H,10,19H2,1-2H3
InChIKeyOWDWVAHCMOJXST-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833811
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 55186203
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676
1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine
CID 165485022
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
2-(2-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 54919515

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine (CID 114833839) is 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine is Cc1ccc(F)cc1C(C)(N)Cc1ccc(F)cc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is OWDWVAHCMOJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-3-6-14(18)9-15(11)16(2,19)10-12-4-7-13(17)8-5-12/h3-9H,10,19H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine?
2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114833839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).