[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine

C14H15F2NOS — CID 81157249

IUPAC[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2NOS/c1-8-7-9(2)19-13(8)12(17)10-3-5-11(6-4-10)18-14(15)16/h3-7,12,14H,17H2,1-2H3
InChIKeyCHPXWZURLQFKKU-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.01
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine

[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine (PubChem CID 81157249) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine
PubChem CID81157249
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2NOS/c1-8-7-9(2)19-13(8)12(17)10-3-5-11(6-4-10)18-14(15)16/h3-7,12,14H,17H2,1-2H3
InChIKeyCHPXWZURLQFKKU-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844
(4-bromo-3-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81290487
2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156015
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 81157473
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine (CID 81157249) is [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C)c(C(N)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is CHPXWZURLQFKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-8-7-9(2)19-13(8)12(17)10-3-5-11(6-4-10)18-14(15)16/h3-7,12,14H,17H2,1-2H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine?
[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 283.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 81157249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).