N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine

C12H17NO2 — CID 89130545

IUPACN-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine
SMILESC=C(NC)Oc1ccccc1OC(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)14-11-7-5-6-8-12(11)15-10(3)13-4/h5-9,13H,3H2,1-2,4H3
InChIKeyXUBZEUPHYOWSBG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine

N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine (PubChem CID 89130545) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine
PubChem CID89130545
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine
SMILESC=C(NC)Oc1ccccc1OC(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)14-11-7-5-6-8-12(11)15-10(3)13-4/h5-9,13H,3H2,1-2,4H3
InChIKeyXUBZEUPHYOWSBG-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate
CID 71409285
ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine
CID 143885715
trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
(2-propan-2-yloxyphenyl) octanoate
CID 573469
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate
CID 12876562
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677238
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
CID 79023945
1-O-(2-methylpropyl) 5-O-(2-propan-2-yloxyphenyl) pentanedioate
CID 91707252

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine?
The IUPAC name of N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine (CID 89130545) is N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine is C=C(NC)Oc1ccccc1OC(C)C.
What is the InChIKey of N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine?
The InChIKey is XUBZEUPHYOWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)14-11-7-5-6-8-12(11)15-10(3)13-4/h5-9,13H,3H2,1-2,4H3.
What are the key properties of N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine?
N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine has a molecular weight of 207.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine is sourced from PubChem (CID 89130545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).