N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine

C14H19NS2 — CID 65246641

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(CNCc2cc(C)c(C)s2)s1
InChIInChI=1S/C14H19NS2/c1-4-12-5-6-13(17-12)8-15-9-14-7-10(2)11(3)16-14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyAVRIXLDQACRRJP-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.28
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine (PubChem CID 65246641) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
PubChem CID65246641
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(CNCc2cc(C)c(C)s2)s1
InChIInChI=1S/C14H19NS2/c1-4-12-5-6-13(17-12)8-15-9-14-7-10(2)11(3)16-14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyAVRIXLDQACRRJP-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 65246200
2-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]-5-methoxyaniline
CID 115414202
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 114136342
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
2,5-diethylthiophene
CID 521294
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 65241599
5-bromo-2-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137152

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine (CID 65246641) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(CNCc2cc(C)c(C)s2)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is AVRIXLDQACRRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-4-12-5-6-13(17-12)8-15-9-14-7-10(2)11(3)16-14/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 265.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65246641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).