1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol

C15H19NOS — CID 174563198

IUPAC1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(CC(O)c2ccc(C)c(C)c2N)s1
InChIInChI=1S/C15H19NOS/c1-9-4-7-13(15(16)11(9)3)14(17)8-12-6-5-10(2)18-12/h4-7,14,17H,8,16H2,1-3H3
InChIKeyBDPUYLDWTHUUQX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol

1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol (PubChem CID 174563198) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol
PubChem CID174563198
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(CC(O)c2ccc(C)c(C)c2N)s1
InChIInChI=1S/C15H19NOS/c1-9-4-7-13(15(16)11(9)3)14(17)8-12-6-5-10(2)18-12/h4-7,14,17H,8,16H2,1-3H3
InChIKeyBDPUYLDWTHUUQX-UHFFFAOYSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol (CID 174563198) is 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol is Cc1ccc(CC(O)c2ccc(C)c(C)c2N)s1.
What is the InChIKey of 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol?
The InChIKey is BDPUYLDWTHUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-9-4-7-13(15(16)11(9)3)14(17)8-12-6-5-10(2)18-12/h4-7,14,17H,8,16H2,1-3H3.
What are the key properties of 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol?
1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol has a molecular weight of 261.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 174563198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).