1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C13H21NO2 — CID 82719560

IUPAC1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOc1ccccc1C(C)NOC(C)(C)C
InChIInChI=1S/C13H21NO2/c1-10(14-16-13(2,3)4)11-8-6-7-9-12(11)15-5/h6-10,14H,1-5H3
InChIKeyBDZPNPHUTTYXSU-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82719560) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82719560
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOc1ccccc1C(C)NOC(C)(C)C
InChIInChI=1S/C13H21NO2/c1-10(14-16-13(2,3)4)11-8-6-7-9-12(11)15-5/h6-10,14H,1-5H3
InChIKeyBDZPNPHUTTYXSU-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82719560) is 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is COc1ccccc1C(C)NOC(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is BDZPNPHUTTYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14-16-13(2,3)4)11-8-6-7-9-12(11)15-5/h6-10,14H,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82719560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).