5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine

C19H19ClF3NO2 — CID 70592884

IUPAC5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine
SMILESCC(N)CC=Cc1ccc(OCc2ccc(OC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClF3NO2/c1-13(24)3-2-4-14-5-8-16(9-6-14)25-12-15-7-10-18(17(20)11-15)26-19(21,22)23/h2,4-11,13H,3,12,24H2,1H3
InChIKeyWDFUKLMTWWCODE-UHFFFAOYSA-N
MW385.81 g/mol
LogP5.57
Rot. Bonds7

About 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine

5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine (PubChem CID 70592884) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine.

Molecular Properties

Compound Name5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine
PubChem CID70592884
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC Name5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine
SMILESCC(N)CC=Cc1ccc(OCc2ccc(OC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClF3NO2/c1-13(24)3-2-4-14-5-8-16(9-6-14)25-12-15-7-10-18(17(20)11-15)26-19(21,22)23/h2,4-11,13H,3,12,24H2,1H3
InChIKeyWDFUKLMTWWCODE-UHFFFAOYSA-N
XLogP5.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Butoxy-3-chloro-phenyl)-ethylamine hydrochloride
CID 2757241
(1Z)-1-[amino-[3-[2-chloro-4-(trifluoromethyl)phenoxy]propoxyamino]methylidene]-2-propan-2-ylguanidine
CID 44400123
2-(3-Chloro-4-propoxyphenyl)ethylamine
CID 2757886
3-Chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzonitrile
CID 8976706
2-Chloro-4-(methoxymethyl)-1-(trifluoromethoxy)benzene
CID 70661042
3-[3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanenitrile
CID 164675578
2-(3-Chloro-4-isopropoxyphenyl)ethanamine
CID 843754
2-(4-Butoxy-3-chlorophenyl)ethylamine
CID 2757242
(3S)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
CID 11616545
(3S)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine;hydrochloride
CID 11717184
2-Chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 12896698
2-Chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene
CID 12939677

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine?
The IUPAC name of 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine (CID 70592884) is 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine.
What is the SMILES notation for 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine?
The canonical SMILES for 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine is CC(N)CC=Cc1ccc(OCc2ccc(OC(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine?
The InChIKey is WDFUKLMTWWCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-13(24)3-2-4-14-5-8-16(9-6-14)25-12-15-7-10-18(17(20)11-15)26-19(21,22)23/h2,4-11,13H,3,12,24H2,1H3.
What are the key properties of 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine?
5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine has a molecular weight of 385.81 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine is sourced from PubChem (CID 70592884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).