N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine

C17H30N2O2 — CID 63057630

IUPACN-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(CNCC(C)C)c1OCCN(C)C
InChIInChI=1S/C17H30N2O2/c1-6-20-16-9-7-8-15(13-18-12-14(2)3)17(16)21-11-10-19(4)5/h7-9,14,18H,6,10-13H2,1-5H3
InChIKeyBTQDGLJUOOOTDR-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds10

About N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63057630) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63057630
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(CNCC(C)C)c1OCCN(C)C
InChIInChI=1S/C17H30N2O2/c1-6-20-16-9-7-8-15(13-18-12-14(2)3)17(16)21-11-10-19(4)5/h7-9,14,18H,6,10-13H2,1-5H3
InChIKeyBTQDGLJUOOOTDR-UHFFFAOYSA-N
XLogP2.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 115955301
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
N-[(2-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63056606

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine (CID 63057630) is N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine is CCOc1cccc(CNCC(C)C)c1OCCN(C)C.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BTQDGLJUOOOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-20-16-9-7-8-15(13-18-12-14(2)3)17(16)21-11-10-19(4)5/h7-9,14,18H,6,10-13H2,1-5H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63057630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).