N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine

C15H19NS — CID 105408935

IUPACN-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2csc(C)c2)c1
InChIInChI=1S/C15H19NS/c1-4-16-9-13-6-5-11(2)15(8-13)14-7-12(3)17-10-14/h5-8,10,16H,4,9H2,1-3H3
InChIKeyURNJBTOPVDPOFZ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.14
Rot. Bonds4

About N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine

N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine (PubChem CID 105408935) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
PubChem CID105408935
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2csc(C)c2)c1
InChIInChI=1S/C15H19NS/c1-4-16-9-13-6-5-11(2)15(8-13)14-7-12(3)17-10-14/h5-8,10,16H,4,9H2,1-3H3
InChIKeyURNJBTOPVDPOFZ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine (CID 105408935) is N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2csc(C)c2)c1.
What is the InChIKey of N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
The InChIKey is URNJBTOPVDPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-4-16-9-13-6-5-11(2)15(8-13)14-7-12(3)17-10-14/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine?
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 105408935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).