N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine

C13H14FNS — CID 117170813

IUPACN-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
SMILESFc1cccc2scc(CNC3CCC3)c12
InChIInChI=1S/C13H14FNS/c14-11-5-2-6-12-13(11)9(8-16-12)7-15-10-3-1-4-10/h2,5-6,8,10,15H,1,3-4,7H2
InChIKeyUEESVNHRNWZYDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.68
Rot. Bonds3

About N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine

N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine (PubChem CID 117170813) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
PubChem CID117170813
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC NameN-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
SMILESFc1cccc2scc(CNC3CCC3)c12
InChIInChI=1S/C13H14FNS/c14-11-5-2-6-12-13(11)9(8-16-12)7-15-10-3-1-4-10/h2,5-6,8,10,15H,1,3-4,7H2
InChIKeyUEESVNHRNWZYDQ-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
CID 117170816
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117181451
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine (CID 117170813) is N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine is Fc1cccc2scc(CNC3CCC3)c12.
What is the InChIKey of N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The InChIKey is UEESVNHRNWZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c14-11-5-2-6-12-13(11)9(8-16-12)7-15-10-3-1-4-10/h2,5-6,8,10,15H,1,3-4,7H2.
What are the key properties of N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine has a molecular weight of 235.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117170813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).