N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine

C15H19F4N — CID 107289047

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C(F)(F)F)c1)C1CC1C
InChIInChI=1S/C15H19F4N/c1-3-6-20-14(11-7-9(11)2)10-4-5-13(16)12(8-10)15(17,18)19/h4-5,8-9,11,14,20H,3,6-7H2,1-2H3
InChIKeyCCEOBBBXVMFUEK-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.54
Rot. Bonds5

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine

N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 107289047) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID107289047
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(C(F)(F)F)c1)C1CC1C
InChIInChI=1S/C15H19F4N/c1-3-6-20-14(11-7-9(11)2)10-4-5-13(16)12(8-10)15(17,18)19/h4-5,8-9,11,14,20H,3,6-7H2,1-2H3
InChIKeyCCEOBBBXVMFUEK-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]hydrazine
CID 107292329
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625497
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65297277
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
CID 115820026
N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine (CID 107289047) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(C(F)(F)F)c1)C1CC1C.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is CCEOBBBXVMFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-3-6-20-14(11-7-9(11)2)10-4-5-13(16)12(8-10)15(17,18)19/h4-5,8-9,11,14,20H,3,6-7H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107289047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).