N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine

C15H15F2NS — CID 114378324

IUPACN-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESFc1ccc(F)c2c(C3CC3)c(CNC3CC3)sc12
InChIInChI=1S/C15H15F2NS/c16-10-5-6-11(17)15-14(10)13(8-1-2-8)12(19-15)7-18-9-3-4-9/h5-6,8-9,18H,1-4,7H2
InChIKeyZBSNJJBVYUQXEC-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.31
Rot. Bonds4

About N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine

N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine (PubChem CID 114378324) has the molecular formula C15H15F2NS and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine
PubChem CID114378324
Molecular FormulaC15H15F2NS
Molecular Weight279.35 g/mol
Exact Mass279.09
IUPAC NameN-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESFc1ccc(F)c2c(C3CC3)c(CNC3CC3)sc12
InChIInChI=1S/C15H15F2NS/c16-10-5-6-11(17)15-14(10)13(8-1-2-8)12(19-15)7-18-9-3-4-9/h5-6,8-9,18H,1-4,7H2
InChIKeyZBSNJJBVYUQXEC-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(3-cyclopropyl-7-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378106
N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377290
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367781
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
CID 80645158
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377379
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[[4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107935527
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 79756560

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine (CID 114378324) is N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine is Fc1ccc(F)c2c(C3CC3)c(CNC3CC3)sc12.
What is the InChIKey of N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is ZBSNJJBVYUQXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c16-10-5-6-11(17)15-14(10)13(8-1-2-8)12(19-15)7-18-9-3-4-9/h5-6,8-9,18H,1-4,7H2.
What are the key properties of N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine?
N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 279.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114378324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).