1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine

C16H25NO — CID 82262496

IUPAC1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
SMILESC=C(C)COc1ccc(CC(C)NC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)11-18-16-8-6-15(7-9-16)10-14(5)17-13(3)4/h6-9,13-14,17H,1,10-11H2,2-5H3
InChIKeyLFQKQNITWSQOAJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.57
Rot. Bonds7

About 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine

1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine (PubChem CID 82262496) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
PubChem CID82262496
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
SMILESC=C(C)COc1ccc(CC(C)NC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)11-18-16-8-6-15(7-9-16)10-14(5)17-13(3)4/h6-9,13-14,17H,1,10-11H2,2-5H3
InChIKeyLFQKQNITWSQOAJ-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
CID 54849864
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341494
N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60878379

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine (CID 82262496) is 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine is C=C(C)COc1ccc(CC(C)NC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is LFQKQNITWSQOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)11-18-16-8-6-15(7-9-16)10-14(5)17-13(3)4/h6-9,13-14,17H,1,10-11H2,2-5H3.
What are the key properties of 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine?
1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 82262496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).