3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine

C19H22FN — CID 81367093

IUPAC3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1cccc([C@H](C)NC2CC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C19H22FN/c1-13-5-3-6-15(9-13)14(2)21-19-11-17(12-19)16-7-4-8-18(20)10-16/h3-10,14,17,19,21H,11-12H2,1-2H3/t14-,17?,19?/m0/s1
InChIKeyJMBVVKVOARAKPI-STJZUHDESA-N
MW283.39 g/mol
LogP4.73
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine

3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 81367093) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID81367093
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1cccc([C@H](C)NC2CC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C19H22FN/c1-13-5-3-6-15(9-13)14(2)21-19-11-17(12-19)16-7-4-8-18(20)10-16/h3-10,14,17,19,21H,11-12H2,1-2H3/t14-,17?,19?/m0/s1
InChIKeyJMBVVKVOARAKPI-STJZUHDESA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 43634187
3-(3-fluorophenyl)-N-(1-phenylpropyl)cyclobutan-1-amine
CID 62304356
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine (CID 81367093) is 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine is Cc1cccc([C@H](C)NC2CC(c3cccc(F)c3)C2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is JMBVVKVOARAKPI-STJZUHDESA-N. The full InChI is InChI=1S/C19H22FN/c1-13-5-3-6-15(9-13)14(2)21-19-11-17(12-19)16-7-4-8-18(20)10-16/h3-10,14,17,19,21H,11-12H2,1-2H3/t14-,17?,19?/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81367093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).