4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol

C12H20N2O — CID 82507670

IUPAC4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol
SMILESCc1cc(C(CN)N(C)C)cc(C)c1O
InChIInChI=1S/C12H20N2O/c1-8-5-10(6-9(2)12(8)15)11(7-13)14(3)4/h5-6,11,15H,7,13H2,1-4H3
InChIKeyRVMHACGSZFIKTR-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.57
Rot. Bonds3

About 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol

4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol (PubChem CID 82507670) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol
PubChem CID82507670
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol
SMILESCc1cc(C(CN)N(C)C)cc(C)c1O
InChIInChI=1S/C12H20N2O/c1-8-5-10(6-9(2)12(8)15)11(7-13)14(3)4/h5-6,11,15H,7,13H2,1-4H3
InChIKeyRVMHACGSZFIKTR-UHFFFAOYSA-N
XLogP1.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
2-[2-(dimethylamino)ethylamino]-2-(4-hydroxy-3,5-dimethylphenyl)acetamide
CID 60996341
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol (CID 82507670) is 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol is Cc1cc(C(CN)N(C)C)cc(C)c1O.
What is the InChIKey of 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol?
The InChIKey is RVMHACGSZFIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-5-10(6-9(2)12(8)15)11(7-13)14(3)4/h5-6,11,15H,7,13H2,1-4H3.
What are the key properties of 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol?
4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol has a molecular weight of 208.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol is sourced from PubChem (CID 82507670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).