N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine

C16H21NS — CID 3062035

IUPACN-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine
SMILESCc1ccc(CC(NC(C)C)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-12(2)17-15(16-5-4-10-18-16)11-14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3
InChIKeyASZJNXKLIANFDK-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine

N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine (PubChem CID 3062035) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine
PubChem CID3062035
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine
SMILESCc1ccc(CC(NC(C)C)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-12(2)17-15(16-5-4-10-18-16)11-14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3
InChIKeyASZJNXKLIANFDK-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methylphenyl)-1-thiophen-2-ylethyl]hydrazine
CID 105193700
(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
N-(2-fluoro-1-thiophen-2-ylethyl)propan-2-amine
CID 83817718
N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine
CID 3062037
[2-(4-ethylphenyl)-1-thiophen-2-ylethyl]hydrazine
CID 105193509
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine (CID 3062035) is N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine is Cc1ccc(CC(NC(C)C)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
The InChIKey is ASZJNXKLIANFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12(2)17-15(16-5-4-10-18-16)11-14-8-6-13(3)7-9-14/h4-10,12,15,17H,11H2,1-3H3.
What are the key properties of N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine is sourced from PubChem (CID 3062035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).