3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine

C16H28N2O2 — CID 170866694

IUPAC3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1cccc(CCCN(C)C)c1OCCN(C)C
InChIInChI=1S/C16H28N2O2/c1-17(2)11-7-9-14-8-6-10-15(19-5)16(14)20-13-12-18(3)4/h6,8,10H,7,9,11-13H2,1-5H3
InChIKeyBPYQAUKTOPUJMG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.13
Rot. Bonds9

About 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine

3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866694) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866694
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1cccc(CCCN(C)C)c1OCCN(C)C
InChIInChI=1S/C16H28N2O2/c1-17(2)11-7-9-14-8-6-10-15(19-5)16(14)20-13-12-18(3)4/h6,8,10H,7,9,11-13H2,1-5H3
InChIKeyBPYQAUKTOPUJMG-UHFFFAOYSA-N
XLogP2.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866459
2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
CID 77097842
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
3-(3-methoxy-2-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865199
2-[3-(dimethylamino)propoxy]-3-methoxybenzonitrile
CID 20992354
3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865770

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine (CID 170866694) is 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine is COc1cccc(CCCN(C)C)c1OCCN(C)C.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is BPYQAUKTOPUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-17(2)11-7-9-14-8-6-10-15(19-5)16(14)20-13-12-18(3)4/h6,8,10H,7,9,11-13H2,1-5H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).