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

C16H21NS — CID 65104551

IUPACN-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1csc(C)c1
InChIInChI=1S/C16H21NS/c1-4-13-6-8-14(9-7-13)16(17-5-2)15-10-12(3)18-11-15/h6-11,16-17H,4-5H2,1-3H3
InChIKeyVIPASVIROOZWFB-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.32
Rot. Bonds5

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

N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 65104551) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID65104551
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1csc(C)c1
InChIInChI=1S/C16H21NS/c1-4-13-6-8-14(9-7-13)16(17-5-2)15-10-12(3)18-11-15/h6-11,16-17H,4-5H2,1-3H3
InChIKeyVIPASVIROOZWFB-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 114330651
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 65105127

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine (CID 65104551) is N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1csc(C)c1.
What is the InChIKey of N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is VIPASVIROOZWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-13-6-8-14(9-7-13)16(17-5-2)15-10-12(3)18-11-15/h6-11,16-17H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 65104551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).