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

C15H19NS — CID 115797230

IUPAC(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(C)c(C)s2)c1
InChIInChI=1S/C15H19NS/c1-9-5-10(2)7-13(6-9)15(16)14-8-11(3)12(4)17-14/h5-8,15H,16H2,1-4H3
InChIKeyQQBLMGYYXZVNGS-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.03
Rot. Bonds2

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

(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 115797230) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID115797230
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(C)c(C)s2)c1
InChIInChI=1S/C15H19NS/c1-9-5-10(2)7-13(6-9)15(16)14-8-11(3)12(4)17-14/h5-8,15H,16H2,1-4H3
InChIKeyQQBLMGYYXZVNGS-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
bis(3,5-dimethylphenyl)methanamine
CID 115796405
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
6-[amino-(4,5-dimethylthiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 65237738
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691
(3,5-dimethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115797432
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 107293519
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798523
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 115797230) is (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C)cc(C(N)c2cc(C)c(C)s2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is QQBLMGYYXZVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-9-5-10(2)7-13(6-9)15(16)14-8-11(3)12(4)17-14/h5-8,15H,16H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 245.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 115797230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).