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

C15H22F3N — CID 63559977

IUPACN-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCCNC(CC)C(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-10-19-14(5-2)11(3)12-8-6-7-9-13(12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3
InChIKeyUQJRCMKKRWMMQA-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.59
Rot. Bonds6

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

N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine (PubChem CID 63559977) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine.

Molecular Properties

Compound NameN-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
PubChem CID63559977
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCCNC(CC)C(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-10-19-14(5-2)11(3)12-8-6-7-9-13(12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3
InChIKeyUQJRCMKKRWMMQA-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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Related Compounds

N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N-propyl-2-quinolin-4-ylpentan-3-amine
CID 63560165

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
The IUPAC name of N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine (CID 63559977) is N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine.
What is the SMILES notation for N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
The canonical SMILES for N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine is CCCNC(CC)C(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
The InChIKey is UQJRCMKKRWMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-10-19-14(5-2)11(3)12-8-6-7-9-13(12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3.
What are the key properties of N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine?
N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-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-2-[2-(trifluoromethyl)phenyl]pentan-3-amine is sourced from PubChem (CID 63559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).