N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine

C15H11BrFNS — CID 65473524

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
SMILESFc1ccc(Br)c(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C15H11BrFNS/c16-14-3-1-12(17)7-11(14)9-18-13-2-4-15-10(8-13)5-6-19-15/h1-8,18H,9H2
InChIKeyJAAGRQPAPKRSDJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.41
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine

N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine (PubChem CID 65473524) has the molecular formula C15H11BrFNS and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
PubChem CID65473524
Molecular FormulaC15H11BrFNS
Molecular Weight336.23 g/mol
Exact Mass334.98
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
SMILESFc1ccc(Br)c(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C15H11BrFNS/c16-14-3-1-12(17)7-11(14)9-18-13-2-4-15-10(8-13)5-6-19-15/h1-8,18H,9H2
InChIKeyJAAGRQPAPKRSDJ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 105371129
2-[(1-benzothiophen-5-ylamino)methyl]-6-bromophenol
CID 61390955
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 43687874
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
4-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2,4-diamine
CID 113368317

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine (CID 65473524) is N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine is Fc1ccc(Br)c(CNc2ccc3sccc3c2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine?
The InChIKey is JAAGRQPAPKRSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNS/c16-14-3-1-12(17)7-11(14)9-18-13-2-4-15-10(8-13)5-6-19-15/h1-8,18H,9H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine has a molecular weight of 336.23 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 65473524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).