N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine

C12H19NO2 — CID 78977002

IUPACN-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCCONCc1ccccc1OC(C)C
InChIInChI=1S/C12H19NO2/c1-4-14-13-9-11-7-5-6-8-12(11)15-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyAEQISVMYVBUFHY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.51
Rot. Bonds6

About N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine

N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 78977002) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID78977002
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCCONCc1ccccc1OC(C)C
InChIInChI=1S/C12H19NO2/c1-4-14-13-9-11-7-5-6-8-12(11)15-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyAEQISVMYVBUFHY-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 61473078
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine (CID 78977002) is N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine is CCONCc1ccccc1OC(C)C.
What is the InChIKey of N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is AEQISVMYVBUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-14-13-9-11-7-5-6-8-12(11)15-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine?
N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 209.29 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 N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 78977002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).