N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine

C18H20FN — CID 63424844

IUPACN-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(F)c(CNC3CC3)c2)cc1C
InChIInChI=1S/C18H20FN/c1-12-3-4-14(9-13(12)2)15-5-8-18(19)16(10-15)11-20-17-6-7-17/h3-5,8-10,17,20H,6-7,11H2,1-2H3
InChIKeyGJPNFUZSPVYDLI-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.36
Rot. Bonds4

About N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine

N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine (PubChem CID 63424844) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
PubChem CID63424844
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(F)c(CNC3CC3)c2)cc1C
InChIInChI=1S/C18H20FN/c1-12-3-4-14(9-13(12)2)15-5-8-18(19)16(10-15)11-20-17-6-7-17/h3-5,8-10,17,20H,6-7,11H2,1-2H3
InChIKeyGJPNFUZSPVYDLI-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
1-[4-[4-fluoro-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 69166555
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 66099317
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 63962452
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975818

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine (CID 63424844) is N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine is Cc1ccc(-c2ccc(F)c(CNC3CC3)c2)cc1C.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is GJPNFUZSPVYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-3-4-14(9-13(12)2)15-5-8-18(19)16(10-15)11-20-17-6-7-17/h3-5,8-10,17,20H,6-7,11H2,1-2H3.
What are the key properties of N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine?
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 269.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63424844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).