N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine

C16H21NS — CID 62314433

IUPACN-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1cccc(CCNC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NS/c1-12-5-4-6-15(11-12)9-10-17-14(3)16-8-7-13(2)18-16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyXQPSYJPNQBVNMX-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 62314433) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID62314433
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1cccc(CCNC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NS/c1-12-5-4-6-15(11-12)9-10-17-14(3)16-8-7-13(2)18-16/h4-8,11,14,17H,9-10H2,1-3H3
InChIKeyXQPSYJPNQBVNMX-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115715269
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
1-(5-methylthiophen-2-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 61218700

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 62314433) is N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1cccc(CCNC(C)c2ccc(C)s2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is XQPSYJPNQBVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12-5-4-6-15(11-12)9-10-17-14(3)16-8-7-13(2)18-16/h4-8,11,14,17H,9-10H2,1-3H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 62314433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).