N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine

C18H16FNS — CID 81128764

IUPACN-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1-c1cccc2ccsc12
InChIInChI=1S/C18H16FNS/c19-17-7-4-12(11-20-14-5-6-14)10-16(17)15-3-1-2-13-8-9-21-18(13)15/h1-4,7-10,14,20H,5-6,11H2
InChIKeyDKGZGSLCSGQQQL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.96
Rot. Bonds4

About N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 81128764) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID81128764
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC NameN-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1-c1cccc2ccsc12
InChIInChI=1S/C18H16FNS/c19-17-7-4-12(11-20-14-5-6-14)10-16(17)15-3-1-2-13-8-9-21-18(13)15/h1-4,7-10,14,20H,5-6,11H2
InChIKeyDKGZGSLCSGQQQL-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
CID 81154048
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
CID 63420419
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 114732131
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872
2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 62358495
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine (CID 81128764) is N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(CNC2CC2)cc1-c1cccc2ccsc12.
What is the InChIKey of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is DKGZGSLCSGQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c19-17-7-4-12(11-20-14-5-6-14)10-16(17)15-3-1-2-13-8-9-21-18(13)15/h1-4,7-10,14,20H,5-6,11H2.
What are the key properties of N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 297.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81128764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).