(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine

C13H13F2NS — CID 43119710

IUPAC(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H13F2NS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13H,16H2,1-2H3
InChIKeyZUZKALVAOGGINA-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.69
Rot. Bonds2

About (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine

(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine (PubChem CID 43119710) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
PubChem CID43119710
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC Name(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H13F2NS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13H,16H2,1-2H3
InChIKeyZUZKALVAOGGINA-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102831759
(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
CID 43124905
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236049
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine (CID 43119710) is (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine is Cc1cc(C(N)c2ccc(F)c(F)c2)c(C)s1.
What is the InChIKey of (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
The InChIKey is ZUZKALVAOGGINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13H,16H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine has a molecular weight of 253.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine is sourced from PubChem (CID 43119710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).