1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine

C16H17F2N — CID 55026029

IUPAC1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-12(9-13-5-7-15(17)8-6-13)19-11-14-3-2-4-16(18)10-14/h2-8,10,12,19H,9,11H2,1H3
InChIKeyZUOWITHDDICUKX-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine

1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine (PubChem CID 55026029) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
PubChem CID55026029
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-12(9-13-5-7-15(17)8-6-13)19-11-14-3-2-4-16(18)10-14/h2-8,10,12,19H,9,11H2,1H3
InChIKeyZUOWITHDDICUKX-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine (CID 55026029) is 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine is CC(Cc1ccc(F)cc1)NCc1cccc(F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
The InChIKey is ZUOWITHDDICUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-12(9-13-5-7-15(17)8-6-13)19-11-14-3-2-4-16(18)10-14/h2-8,10,12,19H,9,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 55026029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).