3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine

C18H19F2N — CID 81369914

IUPAC3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccc(F)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C18H19F2N/c1-12(14-3-2-4-17(20)9-14)21-18-10-15(11-18)13-5-7-16(19)8-6-13/h2-9,12,15,18,21H,10-11H2,1H3/t12-,15?,18?/m1/s1
InChIKeyGZXBUASFCZVSAF-QCGKTTIDSA-N
MW287.35 g/mol
LogP4.56
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine (PubChem CID 81369914) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
PubChem CID81369914
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccc(F)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C18H19F2N/c1-12(14-3-2-4-17(20)9-14)21-18-10-15(11-18)13-5-7-16(19)8-6-13/h2-9,12,15,18,21H,10-11H2,1H3/t12-,15?,18?/m1/s1
InChIKeyGZXBUASFCZVSAF-QCGKTTIDSA-N
XLogP4.56
TPSA12.03 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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine (CID 81369914) is 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine is C[C@@H](NC1CC(c2ccc(F)cc2)C1)c1cccc(F)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is GZXBUASFCZVSAF-QCGKTTIDSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12(14-3-2-4-17(20)9-14)21-18-10-15(11-18)13-5-7-16(19)8-6-13/h2-9,12,15,18,21H,10-11H2,1H3/t12-,15?,18?/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81369914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).