2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine

C12H19NO — CID 82075858

IUPAC2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
SMILESCc1ccc(OCCN(C)C)cc1C
InChIInChI=1S/C12H19NO/c1-10-5-6-12(9-11(10)2)14-8-7-13(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyNZJOZGWGZPWZSK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine

2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine (PubChem CID 82075858) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
PubChem CID82075858
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
SMILESCc1ccc(OCCN(C)C)cc1C
InChIInChI=1S/C12H19NO/c1-10-5-6-12(9-11(10)2)14-8-7-13(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyNZJOZGWGZPWZSK-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
CID 144693051
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
CID 146277523
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
N,N-dimethyl-2-[(3-methyl-1H-indol-6-yl)oxy]ethanamine
CID 144980968
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine (CID 82075858) is 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine is Cc1ccc(OCCN(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine?
The InChIKey is NZJOZGWGZPWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-6-12(9-11(10)2)14-8-7-13(3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine?
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 82075858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).