N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C15H16FNS — CID 140998439

IUPACN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESFc1ccc(CNc2cc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H16FNS/c16-13-7-5-11(6-8-13)10-17-15-9-12-3-1-2-4-14(12)18-15/h5-9,17H,1-4,10H2
InChIKeyJHSZLYNDIYHJQG-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.38
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 140998439) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID140998439
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESFc1ccc(CNc2cc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H16FNS/c16-13-7-5-11(6-8-13)10-17-15-9-12-3-1-2-4-14(12)18-15/h5-9,17H,1-4,10H2
InChIKeyJHSZLYNDIYHJQG-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 140998439) is N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Fc1ccc(CNc2cc3c(s2)CCCC3)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is JHSZLYNDIYHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c16-13-7-5-11(6-8-13)10-17-15-9-12-3-1-2-4-14(12)18-15/h5-9,17H,1-4,10H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 261.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 140998439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).