N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

C18H23NS — CID 105052183

IUPACN-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C1CCC1)c1sccc1C
InChIInChI=1S/C18H23NS/c1-3-19-17(18-13(2)11-12-20-18)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-12,14,17,19H,3,6-8H2,1-2H3
InChIKeyUXKNACLSTNKYGD-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.02
Rot. Bonds5

About N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 105052183) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID105052183
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C1CCC1)c1sccc1C
InChIInChI=1S/C18H23NS/c1-3-19-17(18-13(2)11-12-20-18)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-12,14,17,19H,3,6-8H2,1-2H3
InChIKeyUXKNACLSTNKYGD-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114604084
N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105052333
1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052155
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105188811
N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105032743
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43492641
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 105052183) is N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccccc1C1CCC1)c1sccc1C.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UXKNACLSTNKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-19-17(18-13(2)11-12-20-18)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-12,14,17,19H,3,6-8H2,1-2H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 285.46 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105052183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).