1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine

C18H19F2N — CID 116506014

IUPAC1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H19F2N/c19-16-8-12(9-17(20)11-16)10-18(21)15-6-4-14(5-7-15)13-2-1-3-13/h4-9,11,13,18H,1-3,10,21H2
InChIKeyMFOVBFGTLXTZQM-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.47
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine

1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine (PubChem CID 116506014) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine
PubChem CID116506014
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H19F2N/c19-16-8-12(9-17(20)11-16)10-18(21)15-6-4-14(5-7-15)13-2-1-3-13/h4-9,11,13,18H,1-3,10,21H2
InChIKeyMFOVBFGTLXTZQM-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine
CID 116505911
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
1-(4-cyclobutylphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 116506024
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
[1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198396
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine (CID 116506014) is 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine is NC(Cc1cc(F)cc(F)c1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine?
The InChIKey is MFOVBFGTLXTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-16-8-12(9-17(20)11-16)10-18(21)15-6-4-14(5-7-15)13-2-1-3-13/h4-9,11,13,18H,1-3,10,21H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine?
1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine has a molecular weight of 287.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 116506014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).