N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine

C14H18F3NO — CID 104987768

IUPACN-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-3-5-6-13(18-4-2)11-7-9-12(10-8-11)19-14(15,16)17/h3,7-10,13,18H,1,4-6H2,2H3
InChIKeyYMKLHAJYXBCIPM-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.20
Rot. Bonds7

About N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine

N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine (PubChem CID 104987768) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
PubChem CID104987768
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-3-5-6-13(18-4-2)11-7-9-12(10-8-11)19-14(15,16)17/h3,7-10,13,18H,1,4-6H2,2H3
InChIKeyYMKLHAJYXBCIPM-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine (CID 104987768) is N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine is C=CCCC(NCC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
The InChIKey is YMKLHAJYXBCIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-5-6-13(18-4-2)11-7-9-12(10-8-11)19-14(15,16)17/h3,7-10,13,18H,1,4-6H2,2H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine?
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine has a molecular weight of 273.30 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine is sourced from PubChem (CID 104987768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).