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

C16H21NS — CID 43206039

IUPAC1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1cccs1)c1ccc(C)cc1
InChIInChI=1S/C16H21NS/c1-4-15(14-9-7-12(2)8-10-14)17-13(3)16-6-5-11-18-16/h5-11,13,15,17H,4H2,1-3H3
InChIKeyCXSRZGLGTRPQEL-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.86
Rot. Bonds5

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

1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine (PubChem CID 43206039) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
PubChem CID43206039
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1cccs1)c1ccc(C)cc1
InChIInChI=1S/C16H21NS/c1-4-15(14-9-7-12(2)8-10-14)17-13(3)16-6-5-11-18-16/h5-11,13,15,17H,4H2,1-3H3
InChIKeyCXSRZGLGTRPQEL-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine (CID 43206039) is 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine is CCC(NC(C)c1cccs1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is CXSRZGLGTRPQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-15(14-9-7-12(2)8-10-14)17-13(3)16-6-5-11-18-16/h5-11,13,15,17H,4H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine?
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 43206039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).