N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine

C15H23NO2 — CID 61268180

IUPACN-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)COc1cc(OC)ccc1CNC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)10-18-15-8-14(17-5)7-6-13(15)9-16-12(3)4/h6-8,12,16H,1,9-10H2,2-5H3
InChIKeyHAXKUFZEQHYDCK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.15
Rot. Bonds7

About N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine

N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine (PubChem CID 61268180) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
PubChem CID61268180
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)COc1cc(OC)ccc1CNC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)10-18-15-8-14(17-5)7-6-13(15)9-16-12(3)4/h6-8,12,16H,1,9-10H2,2-5H3
InChIKeyHAXKUFZEQHYDCK-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
4-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65246931
1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
CID 166445394
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine (CID 61268180) is N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine is C=C(C)COc1cc(OC)ccc1CNC(C)C.
What is the InChIKey of N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
The InChIKey is HAXKUFZEQHYDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)10-18-15-8-14(17-5)7-6-13(15)9-16-12(3)4/h6-8,12,16H,1,9-10H2,2-5H3.
What are the key properties of N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61268180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).