N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine

C16H15F2N — CID 54911490

IUPACN-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cccc(-c2ccc(F)c(CNC3CC3)c2)c1
InChIInChI=1S/C16H15F2N/c17-14-3-1-2-11(9-14)12-4-7-16(18)13(8-12)10-19-15-5-6-15/h1-4,7-9,15,19H,5-6,10H2
InChIKeyUJYIEBRPWAKSAI-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.88
Rot. Bonds4

About N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 54911490) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID54911490
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cccc(-c2ccc(F)c(CNC3CC3)c2)c1
InChIInChI=1S/C16H15F2N/c17-14-3-1-2-11(9-14)12-4-7-16(18)13(8-12)10-19-15-5-6-15/h1-4,7-9,15,19H,5-6,10H2
InChIKeyUJYIEBRPWAKSAI-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
1-[4-[4-fluoro-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 69166555
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 55035469
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109033
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
N-[(2,5-difluorophenyl)methyl]-1,1-dioxothian-4-amine
CID 43614880
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine (CID 54911490) is N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine is Fc1cccc(-c2ccc(F)c(CNC3CC3)c2)c1.
What is the InChIKey of N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is UJYIEBRPWAKSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-14-3-1-2-11(9-14)12-4-7-16(18)13(8-12)10-19-15-5-6-15/h1-4,7-9,15,19H,5-6,10H2.
What are the key properties of N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 259.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54911490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).