2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine

C14H18F3NO3 — CID 107943861

IUPAC2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-2-7-19-13-11(18)8-12(13)20-9-3-5-10(6-4-9)21-14(15,16)17/h3-6,11-13H,2,7-8,18H2,1H3
InChIKeyMEWPRJPNFFXBDI-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.86
Rot. Bonds6

About 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine

2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine (PubChem CID 107943861) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
PubChem CID107943861
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-2-7-19-13-11(18)8-12(13)20-9-3-5-10(6-4-9)21-14(15,16)17/h3-6,11-13H,2,7-8,18H2,1H3
InChIKeyMEWPRJPNFFXBDI-UHFFFAOYSA-N
XLogP2.86
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
1-(3-bromo-2-propoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 107942872
3-(3-ethoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943638
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855
3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride
CID 167609158
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
CID 167570136

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
The IUPAC name of 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine (CID 107943861) is 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
The canonical SMILES for 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
The InChIKey is MEWPRJPNFFXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-2-7-19-13-11(18)8-12(13)20-9-3-5-10(6-4-9)21-14(15,16)17/h3-6,11-13H,2,7-8,18H2,1H3.
What are the key properties of 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine?
2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine has a molecular weight of 305.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 107943861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).