2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol

C13H15NOS — CID 66352322

IUPAC2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
SMILESCc1cc(CNc2ccsc2)cc(C)c1O
InChIInChI=1S/C13H15NOS/c1-9-5-11(6-10(2)13(9)15)7-14-12-3-4-16-8-12/h3-6,8,14-15H,7H2,1-2H3
InChIKeyNZWWNLKSKUGGPZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.68
Rot. Bonds3

About 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol

2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol (PubChem CID 66352322) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
PubChem CID66352322
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
SMILESCc1cc(CNc2ccsc2)cc(C)c1O
InChIInChI=1S/C13H15NOS/c1-9-5-11(6-10(2)13(9)15)7-14-12-3-4-16-8-12/h3-6,8,14-15H,7H2,1-2H3
InChIKeyNZWWNLKSKUGGPZ-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352992
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
CID 66353002
4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
CID 107582089
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol (CID 66352322) is 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol is Cc1cc(CNc2ccsc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol?
The InChIKey is NZWWNLKSKUGGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-5-11(6-10(2)13(9)15)7-14-12-3-4-16-8-12/h3-6,8,14-15H,7H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol?
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol has a molecular weight of 233.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol is sourced from PubChem (CID 66352322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).