(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine

C15H12FNS — CID 105083659

IUPAC(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H12FNS/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15H,17H2
InChIKeyROXRIHAQPOHQBL-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.09
Rot. Bonds2

About (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine

(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine (PubChem CID 105083659) has the molecular formula C15H12FNS and a molecular weight of 257.33 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
PubChem CID105083659
Molecular FormulaC15H12FNS
Molecular Weight257.33 g/mol
Exact Mass257.07
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H12FNS/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15H,17H2
InChIKeyROXRIHAQPOHQBL-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971
(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine
CID 105187860
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
[(5-fluoro-1-benzothiophen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284893
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
3-(5-fluoro-1-benzothiophen-2-yl)-1-phenylbut-3-en-1-amine;hydrochloride
CID 67423993
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine (CID 105083659) is (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine is NC(c1ccccc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine?
The InChIKey is ROXRIHAQPOHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNS/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15H,17H2.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine?
(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine is sourced from PubChem (CID 105083659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).