1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine

C14H23NO2 — CID 82354162

IUPAC1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
SMILESCCc1cc(COCC(C)(C)N)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-12-8-11(6-7-13(12)16-4)9-17-10-14(2,3)15/h6-8H,5,9-10,15H2,1-4H3
InChIKeyJHBNWPIXEDNBJF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds6

About 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine

1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine (PubChem CID 82354162) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
PubChem CID82354162
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
SMILESCCc1cc(COCC(C)(C)N)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-12-8-11(6-7-13(12)16-4)9-17-10-14(2,3)15/h6-8H,5,9-10,15H2,1-4H3
InChIKeyJHBNWPIXEDNBJF-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64572108
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
CID 67214176
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
ethyl 4-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353221
3-[(2-amino-2-methylpropoxy)methyl]benzoic acid
CID 82353223

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine (CID 82354162) is 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine is CCc1cc(COCC(C)(C)N)ccc1OC.
What is the InChIKey of 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine?
The InChIKey is JHBNWPIXEDNBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12-8-11(6-7-13(12)16-4)9-17-10-14(2,3)15/h6-8H,5,9-10,15H2,1-4H3.
What are the key properties of 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine?
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 82354162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).