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

C14H20F3N — CID 63561717

IUPACN-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCNC(CC)C(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-4-13(18-5-2)10(3)11-8-6-7-9-12(11)14(15,16)17/h6-10,13,18H,4-5H2,1-3H3
InChIKeyYKQRSTRDSQTZOV-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.20
Rot. Bonds5

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

N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine (PubChem CID 63561717) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
PubChem CID63561717
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCNC(CC)C(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-4-13(18-5-2)10(3)11-8-6-7-9-12(11)14(15,16)17/h6-10,13,18H,4-5H2,1-3H3
InChIKeyYKQRSTRDSQTZOV-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63559977
2-(2-bromophenyl)-N-ethylpentan-3-amine
CID 79308386
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
1-(3-bromo-4-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 79299203
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
The IUPAC name of N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine (CID 63561717) is N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine.
What is the SMILES notation for N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
The canonical SMILES for N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine is CCNC(CC)C(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
The InChIKey is YKQRSTRDSQTZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-13(18-5-2)10(3)11-8-6-7-9-12(11)14(15,16)17/h6-10,13,18H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine has a molecular weight of 259.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine is sourced from PubChem (CID 63561717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).