3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

C18H22FNS — CID 43723065

IUPAC3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCC(C)C(NC1CC(c2cccc(F)c2)C1)c1cccs1
InChIInChI=1S/C18H22FNS/c1-12(2)18(17-7-4-8-21-17)20-16-10-14(11-16)13-5-3-6-15(19)9-13/h3-9,12,14,16,18,20H,10-11H2,1-2H3
InChIKeyBWWVOWXCGWWZGR-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.12
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (PubChem CID 43723065) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
PubChem CID43723065
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCC(C)C(NC1CC(c2cccc(F)c2)C1)c1cccs1
InChIInChI=1S/C18H22FNS/c1-12(2)18(17-7-4-8-21-17)20-16-10-14(11-16)13-5-3-6-15(19)9-13/h3-9,12,14,16,18,20H,10-11H2,1-2H3
InChIKeyBWWVOWXCGWWZGR-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 43634187
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (CID 43723065) is 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is CC(C)C(NC1CC(c2cccc(F)c2)C1)c1cccs1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The InChIKey is BWWVOWXCGWWZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-12(2)18(17-7-4-8-21-17)20-16-10-14(11-16)13-5-3-6-15(19)9-13/h3-9,12,14,16,18,20H,10-11H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 43723065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).