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

C16H17F2N — CID 54911581

IUPACN-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C16H17F2N/c1-2-8-19-11-14-7-6-13(10-16(14)18)12-4-3-5-15(17)9-12/h3-7,9-10,19H,2,8,11H2,1H3
InChIKeyNASNHAUOCSTGFM-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.13
Rot. Bonds5

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

N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine (PubChem CID 54911581) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
PubChem CID54911581
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C16H17F2N/c1-2-8-19-11-14-7-6-13(10-16(14)18)12-4-3-5-15(17)9-12/h3-7,9-10,19H,2,8,11H2,1H3
InChIKeyNASNHAUOCSTGFM-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240105
N-[[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 81128766
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 66272311
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 66007460
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene
CID 174288764

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine (CID 54911581) is N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(F)c2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine?
The InChIKey is NASNHAUOCSTGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-8-19-11-14-7-6-13(10-16(14)18)12-4-3-5-15(17)9-12/h3-7,9-10,19H,2,8,11H2,1H3.
What are the key properties of N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 54911581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).