N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine

C17H24F3N — CID 83150966

IUPACN-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-12(2)16(3,11-21-15-8-9-15)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12,15,21H,8-11H2,1-3H3
InChIKeyLAZXRJGNWLBYKB-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.66
Rot. Bonds6

About N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine

N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine (PubChem CID 83150966) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
PubChem CID83150966
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-12(2)16(3,11-21-15-8-9-15)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12,15,21H,8-11H2,1-3H3
InChIKeyLAZXRJGNWLBYKB-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 66038452
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine (CID 83150966) is N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine?
The InChIKey is LAZXRJGNWLBYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12(2)16(3,11-21-15-8-9-15)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12,15,21H,8-11H2,1-3H3.
What are the key properties of N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine?
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine has a molecular weight of 299.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine is sourced from PubChem (CID 83150966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).