N-but-3-en-2-yloxy-1-phenylmethanamine

C11H15NO — CID 11062948

IUPACN-but-3-en-2-yloxy-1-phenylmethanamine
SMILESC=CC(C)ONCc1ccccc1
InChIInChI=1S/C11H15NO/c1-3-10(2)13-12-9-11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeyGAMGQYKAMHZBKL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.28
Rot. Bonds5

About N-but-3-en-2-yloxy-1-phenylmethanamine

N-but-3-en-2-yloxy-1-phenylmethanamine (PubChem CID 11062948) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-but-3-en-2-yloxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-but-3-en-2-yloxy-1-phenylmethanamine
PubChem CID11062948
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-but-3-en-2-yloxy-1-phenylmethanamine
SMILESC=CC(C)ONCc1ccccc1
InChIInChI=1S/C11H15NO/c1-3-10(2)13-12-9-11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeyGAMGQYKAMHZBKL-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methoxyphenylethylamine
CID 121190
Benzylhydroxylamine
CID 2794173
Hydroxylamine, O-methyl-N-phenethyl-, hydrochloride
CID 121189
N-(1-phenylethyl)hydroxylamine
CID 11126318
N-benzylhydroxylamine hydrochloride
CID 11332622
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
N-methoxy-1-phenylpropan-2-amine
CID 199112
Hydroxylamine, O-isopropyl-N-(alpha-methylphenethyl)-
CID 3063246
Benzyl(methoxy)amine hydrochloride
CID 71358116
Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yloxy-1-phenylmethanamine?
The IUPAC name of N-but-3-en-2-yloxy-1-phenylmethanamine (CID 11062948) is N-but-3-en-2-yloxy-1-phenylmethanamine.
What is the SMILES notation for N-but-3-en-2-yloxy-1-phenylmethanamine?
The canonical SMILES for N-but-3-en-2-yloxy-1-phenylmethanamine is C=CC(C)ONCc1ccccc1.
What is the InChIKey of N-but-3-en-2-yloxy-1-phenylmethanamine?
The InChIKey is GAMGQYKAMHZBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-10(2)13-12-9-11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3.
What are the key properties of N-but-3-en-2-yloxy-1-phenylmethanamine?
N-but-3-en-2-yloxy-1-phenylmethanamine has a molecular weight of 177.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yloxy-1-phenylmethanamine is sourced from PubChem (CID 11062948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).