N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine

C16H24F3N — CID 82920537

IUPACN,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCNC(CC(CC)CC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-4-12(5-2)10-15(20-6-3)13-8-7-9-14(11-13)16(17,18)19/h7-9,11-12,15,20H,4-6,10H2,1-3H3
InChIKeyZMNFZSHZVYOGDL-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.18
Rot. Bonds7

About N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine

N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 82920537) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID82920537
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCNC(CC(CC)CC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-4-12(5-2)10-15(20-6-3)13-8-7-9-14(11-13)16(17,18)19/h7-9,11-12,15,20H,4-6,10H2,1-3H3
InChIKeyZMNFZSHZVYOGDL-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64675011
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 102606046
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine (CID 82920537) is N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine is CCNC(CC(CC)CC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is ZMNFZSHZVYOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-12(5-2)10-15(20-6-3)13-8-7-9-14(11-13)16(17,18)19/h7-9,11-12,15,20H,4-6,10H2,1-3H3.
What are the key properties of N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 82920537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).