ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine

C14H25NO2 — CID 144693051

IUPACethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
SMILESCC.COc1cc(OCCN(C)C)ccc1C
InChIInChI=1S/C12H19NO2.C2H6/c1-10-5-6-11(9-12(10)14-4)15-8-7-13(2)3;1-2/h5-6,9H,7-8H2,1-4H3;1-2H3
InChIKeyDFMXMCUXMLDDIK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.97
Rot. Bonds5

About ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine

ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine (PubChem CID 144693051) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Nameethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
PubChem CID144693051
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
SMILESCC.COc1cc(OCCN(C)C)ccc1C
InChIInChI=1S/C12H19NO2.C2H6/c1-10-5-6-11(9-12(10)14-4)15-8-7-13(2)3;1-2/h5-6,9H,7-8H2,1-4H3;1-2H3
InChIKeyDFMXMCUXMLDDIK-UHFFFAOYSA-N
XLogP2.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
CID 22996186
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
N,N-dimethyl-2-[(3-methyl-1H-indol-6-yl)oxy]ethanamine
CID 144980968
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine (CID 144693051) is ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine is CC.COc1cc(OCCN(C)C)ccc1C.
What is the InChIKey of ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine?
The InChIKey is DFMXMCUXMLDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-10-5-6-11(9-12(10)14-4)15-8-7-13(2)3;1-2/h5-6,9H,7-8H2,1-4H3;1-2H3.
What are the key properties of ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine?
ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 144693051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).