(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine

C15H13F2NS — CID 105145502

IUPAC(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)C1Cc2ccccc2S1
InChIInChI=1S/C15H13F2NS/c16-11-6-5-10(7-12(11)17)15(18)14-8-9-3-1-2-4-13(9)19-14/h1-7,14-15H,8,18H2
InChIKeyMHPFCMGBLQAWEL-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.68
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine

(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine (PubChem CID 105145502) has the molecular formula C15H13F2NS and a molecular weight of 277.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
PubChem CID105145502
Molecular FormulaC15H13F2NS
Molecular Weight277.34 g/mol
Exact Mass277.07
IUPAC Name(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)C1Cc2ccccc2S1
InChIInChI=1S/C15H13F2NS/c16-11-6-5-10(7-12(11)17)15(18)14-8-9-3-1-2-4-13(9)19-14/h1-7,14-15H,8,18H2
InChIKeyMHPFCMGBLQAWEL-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328374
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105113739
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine (CID 105145502) is (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine is NC(c1ccc(F)c(F)c1)C1Cc2ccccc2S1.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is MHPFCMGBLQAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS/c16-11-6-5-10(7-12(11)17)15(18)14-8-9-3-1-2-4-13(9)19-14/h1-7,14-15H,8,18H2.
What are the key properties of (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 277.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 105145502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).