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

C15H20FNS — CID 114378107

IUPACN-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2c(F)cccc12
InChIInChI=1S/C15H20FNS/c1-4-6-11-12-7-5-8-13(16)15(12)18-14(11)9-17-10(2)3/h5,7-8,10,17H,4,6,9H2,1-3H3
InChIKeyVXRSQZGKBZXUKK-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.49
Rot. Bonds5

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

N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (PubChem CID 114378107) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
PubChem CID114378107
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC NameN-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2c(F)cccc12
InChIInChI=1S/C15H20FNS/c1-4-6-11-12-7-5-8-13(16)15(12)18-14(11)9-17-10(2)3/h5,7-8,10,17H,4,6,9H2,1-3H3
InChIKeyVXRSQZGKBZXUKK-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378266
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378104
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378175
N-[(7-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378379
N-[[3-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
N-[(3-cyclopropyl-7-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378106
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
CID 130839099
N-[[7-bromo-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 114378235
N-[(3-ethyl-5,7-dimethyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 104843316
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (CID 114378107) is N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)sc2c(F)cccc12.
What is the InChIKey of N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is VXRSQZGKBZXUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c1-4-6-11-12-7-5-8-13(16)15(12)18-14(11)9-17-10(2)3/h5,7-8,10,17H,4,6,9H2,1-3H3.
What are the key properties of N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114378107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).