N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine

C18H20FN — CID 115502482

IUPACN-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(CNC3CC3)cc2C)cc1F
InChIInChI=1S/C18H20FN/c1-12-3-5-15(10-18(12)19)17-8-4-14(9-13(17)2)11-20-16-6-7-16/h3-5,8-10,16,20H,6-7,11H2,1-2H3
InChIKeyFQTQNALQUQCBPY-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.36
Rot. Bonds4

About N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 115502482) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID115502482
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(CNC3CC3)cc2C)cc1F
InChIInChI=1S/C18H20FN/c1-12-3-5-15(10-18(12)19)17-8-4-14(9-13(17)2)11-20-16-6-7-16/h3-5,8-10,16,20H,6-7,11H2,1-2H3
InChIKeyFQTQNALQUQCBPY-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-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480253
N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine (CID 115502482) is N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine is Cc1ccc(-c2ccc(CNC3CC3)cc2C)cc1F.
What is the InChIKey of N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is FQTQNALQUQCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-3-5-15(10-18(12)19)17-8-4-14(9-13(17)2)11-20-16-6-7-16/h3-5,8-10,16,20H,6-7,11H2,1-2H3.
What are the key properties of N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]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-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115502482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).