2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol

C14H17NO2S — CID 62871696

IUPAC2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
SMILESCOc1ccc(NCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C14H17NO2S/c1-10-8-11(17-2)5-6-12(10)15-9-13(16)14-4-3-7-18-14/h3-8,13,15-16H,9H2,1-2H3
InChIKeyKFGZFUNPAZTMMK-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol

2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol (PubChem CID 62871696) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
PubChem CID62871696
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
SMILESCOc1ccc(NCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C14H17NO2S/c1-10-8-11(17-2)5-6-12(10)15-9-13(16)14-4-3-7-18-14/h3-8,13,15-16H,9H2,1-2H3
InChIKeyKFGZFUNPAZTMMK-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(dithiophen-2-ylmethyl)-4-methoxy-2-methylaniline
CID 62871322
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
CID 60898689
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60896734
4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 63476524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol (CID 62871696) is 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol is COc1ccc(NCC(O)c2cccs2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol?
The InChIKey is KFGZFUNPAZTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10-8-11(17-2)5-6-12(10)15-9-13(16)14-4-3-7-18-14/h3-8,13,15-16H,9H2,1-2H3.
What are the key properties of 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol?
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol has a molecular weight of 263.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 62871696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).