N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine

C15H22F3N — CID 63200596

IUPACN-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCCNC(C)C(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-4-10-19-11(3)14(5-2)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3
InChIKeyYHCDNOBDQORNKR-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.59
Rot. Bonds6

About N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine

N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 63200596) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID63200596
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCCNC(C)C(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-4-10-19-11(3)14(5-2)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3
InChIKeyYHCDNOBDQORNKR-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine (CID 63200596) is N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine is CCCNC(C)C(CC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is YHCDNOBDQORNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-10-19-11(3)14(5-2)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3.
What are the key properties of N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine?
N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 63200596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).