2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane

C15H28N2O — CID 145332218

IUPAC2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
SMILESCC.Cc1cc(CCN)ccc1OCCN(C)C
InChIInChI=1S/C13H22N2O.C2H6/c1-11-10-12(6-7-14)4-5-13(11)16-9-8-15(2)3;1-2/h4-5,10H,6-9,14H2,1-3H3;1-2H3
InChIKeyXHQNPFWFYXXFCA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane

2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane (PubChem CID 145332218) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
PubChem CID145332218
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
SMILESCC.Cc1cc(CCN)ccc1OCCN(C)C
InChIInChI=1S/C13H22N2O.C2H6/c1-11-10-12(6-7-14)4-5-13(11)16-9-8-15(2)3;1-2/h4-5,10H,6-9,14H2,1-3H3;1-2H3
InChIKeyXHQNPFWFYXXFCA-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320243
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
1-(4-bromobutoxy)-2-methyl-4-propylbenzene
CID 22367705
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane (CID 145332218) is 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane is CC.Cc1cc(CCN)ccc1OCCN(C)C.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane?
The InChIKey is XHQNPFWFYXXFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.C2H6/c1-11-10-12(6-7-14)4-5-13(11)16-9-8-15(2)3;1-2/h4-5,10H,6-9,14H2,1-3H3;1-2H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane?
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane has a molecular weight of 252.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane is sourced from PubChem (CID 145332218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).