N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine

C15H19F2NS — CID 114378266

IUPACN-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2c(F)cc(F)cc12
InChIInChI=1S/C15H19F2NS/c1-4-5-11-12-6-10(16)7-13(17)15(12)19-14(11)8-18-9(2)3/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyVIDDFKFNUFBWPX-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.63
Rot. Bonds5

About N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine

N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (PubChem CID 114378266) has the molecular formula C15H19F2NS and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
PubChem CID114378266
Molecular FormulaC15H19F2NS
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2c(F)cc(F)cc12
InChIInChI=1S/C15H19F2NS/c1-4-5-11-12-6-10(16)7-13(17)15(12)19-14(11)8-18-9(2)3/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyVIDDFKFNUFBWPX-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378107
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378175
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 114378271
N-[(3-ethyl-5,7-dimethyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 104843316
N-[(3-cyclopropyl-5,7-difluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378264
2-butan-2-yl-3-chloro-5,7-difluoro-1-benzothiophene
CID 71088766
N-[[2-(2-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107924104
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
3-chloro-5,7-difluoro-2-methyl-1-benzothiophene;propane
CID 143670316
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 62814253
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (CID 114378266) is N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)sc2c(F)cc(F)cc12.
What is the InChIKey of N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is VIDDFKFNUFBWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NS/c1-4-5-11-12-6-10(16)7-13(17)15(12)19-14(11)8-18-9(2)3/h6-7,9,18H,4-5,8H2,1-3H3.
What are the key properties of N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114378266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).