2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol

C17H21NOS — CID 103910907

IUPAC2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol
SMILESCc1ccc(C(NCC(O)c2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H21NOS/c1-12-2-4-13(5-3-12)17(14-6-7-14)18-10-16(19)15-8-9-20-11-15/h2-5,8-9,11,14,16-19H,6-7,10H2,1H3
InChIKeyJTCYTNKQQPIINU-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.83
Rot. Bonds6

About 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol

2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol (PubChem CID 103910907) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol
PubChem CID103910907
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol
SMILESCc1ccc(C(NCC(O)c2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H21NOS/c1-12-2-4-13(5-3-12)17(14-6-7-14)18-10-16(19)15-8-9-20-11-15/h2-5,8-9,11,14,16-19H,6-7,10H2,1H3
InChIKeyJTCYTNKQQPIINU-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol (CID 103910907) is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol is Cc1ccc(C(NCC(O)c2ccsc2)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol?
The InChIKey is JTCYTNKQQPIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-2-4-13(5-3-12)17(14-6-7-14)18-10-16(19)15-8-9-20-11-15/h2-5,8-9,11,14,16-19H,6-7,10H2,1H3.
What are the key properties of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol?
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol has a molecular weight of 287.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103910907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).