N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine

C16H20F3NO — CID 170995014

IUPACN-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
SMILESFC(F)(F)COc1ccc(CNC2CCC2)cc1C1CC1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)10-21-15-7-4-11(8-14(15)12-5-6-12)9-20-13-2-1-3-13/h4,7-8,12-13,20H,1-3,5-6,9-10H2
InChIKeyNXLXKUSBLBXSQV-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.15
Rot. Bonds6

About N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine

N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine (PubChem CID 170995014) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
PubChem CID170995014
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
SMILESFC(F)(F)COc1ccc(CNC2CCC2)cc1C1CC1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)10-21-15-7-4-11(8-14(15)12-5-6-12)9-20-13-2-1-3-13/h4,7-8,12-13,20H,1-3,5-6,9-10H2
InChIKeyNXLXKUSBLBXSQV-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
CID 119106660
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 119106747
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119106703
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 111332801
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
CID 117219993
N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 63319851
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[[4-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106704511
1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63319679

Frequently Asked Questions

What is the IUPAC name of N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine?
The IUPAC name of N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine (CID 170995014) is N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine is FC(F)(F)COc1ccc(CNC2CCC2)cc1C1CC1.
What is the InChIKey of N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine?
The InChIKey is NXLXKUSBLBXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)10-21-15-7-4-11(8-14(15)12-5-6-12)9-20-13-2-1-3-13/h4,7-8,12-13,20H,1-3,5-6,9-10H2.
What are the key properties of N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine?
N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine has a molecular weight of 299.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine is sourced from PubChem (CID 170995014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).