2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine

C15H21NO2 — CID 117061304

IUPAC2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
SMILESCC(C)=C(NOC1CCCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(2)15(13-8-4-3-5-9-13)16-18-14-10-6-7-11-17-14/h3-5,8-9,14,16H,6-7,10-11H2,1-2H3
InChIKeyUYZZCNPEHOXCER-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine

2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine (PubChem CID 117061304) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
PubChem CID117061304
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
SMILESCC(C)=C(NOC1CCCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(2)15(13-8-4-3-5-9-13)16-18-14-10-6-7-11-17-14/h3-5,8-9,14,16H,6-7,10-11H2,1-2H3
InChIKeyUYZZCNPEHOXCER-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.49
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

3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 170777342
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
CID 138107737
3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine?
The IUPAC name of 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine (CID 117061304) is 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine.
What is the SMILES notation for 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine?
The canonical SMILES for 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine is CC(C)=C(NOC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine?
The InChIKey is UYZZCNPEHOXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)15(13-8-4-3-5-9-13)16-18-14-10-6-7-11-17-14/h3-5,8-9,14,16H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine?
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 117061304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).