2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol

C16H21NOS — CID 43790172

IUPAC2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
SMILESCc1ccc(NC(c2cccs2)C(C)C)c(C)c1O
InChIInChI=1S/C16H21NOS/c1-10(2)15(14-6-5-9-19-14)17-13-8-7-11(3)16(18)12(13)4/h5-10,15,17-18H,1-4H3
InChIKeyVLTKXMGRHNTMOQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.88
Rot. Bonds4

About 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol

2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol (PubChem CID 43790172) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
PubChem CID43790172
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
SMILESCc1ccc(NC(c2cccs2)C(C)C)c(C)c1O
InChIInChI=1S/C16H21NOS/c1-10(2)15(14-6-5-9-19-14)17-13-8-7-11(3)16(18)12(13)4/h5-10,15,17-18H,1-4H3
InChIKeyVLTKXMGRHNTMOQ-UHFFFAOYSA-N
XLogP4.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 103590138
5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107927221
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43761105
2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107933549
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol?
The IUPAC name of 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol (CID 43790172) is 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol is Cc1ccc(NC(c2cccs2)C(C)C)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol?
The InChIKey is VLTKXMGRHNTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10(2)15(14-6-5-9-19-14)17-13-8-7-11(3)16(18)12(13)4/h5-10,15,17-18H,1-4H3.
What are the key properties of 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol?
2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol has a molecular weight of 275.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol is sourced from PubChem (CID 43790172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).