5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol

C16H21NOS — CID 61473528

IUPAC5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
SMILESCc1ccc(C(C)NC(C)Cc2ccsc2)c(O)c1
InChIInChI=1S/C16H21NOS/c1-11-4-5-15(16(18)8-11)13(3)17-12(2)9-14-6-7-19-10-14/h4-8,10,12-13,17-18H,9H2,1-3H3
InChIKeyLOHZWSWWRADYHJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds5

About 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol

5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol (PubChem CID 61473528) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
PubChem CID61473528
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
SMILESCc1ccc(C(C)NC(C)Cc2ccsc2)c(O)c1
InChIInChI=1S/C16H21NOS/c1-11-4-5-15(16(18)8-11)13(3)17-12(2)9-14-6-7-19-10-14/h4-8,10,12-13,17-18H,9H2,1-3H3
InChIKeyLOHZWSWWRADYHJ-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 43099355
5-methyl-2-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]phenol
CID 113463320
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 61473343
2-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]-5-methylphenol
CID 54963614
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol (CID 61473528) is 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol is Cc1ccc(C(C)NC(C)Cc2ccsc2)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
The InChIKey is LOHZWSWWRADYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-4-5-15(16(18)8-11)13(3)17-12(2)9-14-6-7-19-10-14/h4-8,10,12-13,17-18H,9H2,1-3H3.
What are the key properties of 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol?
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol has a molecular weight of 275.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 61473528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).