N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine

C12H17NO — CID 10976317

IUPACN-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine
SMILESC/C=C/C(C)ONCc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-11(2)14-13-10-12-8-5-4-6-9-12/h3-9,11,13H,10H2,1-2H3/b7-3+
InChIKeyIEQXDNRIMLBYJR-XVNBXDOJSA-N
MW191.27 g/mol
LogP2.67
Rot. Bonds5

About N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine

N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine (PubChem CID 10976317) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine
PubChem CID10976317
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine
SMILESC/C=C/C(C)ONCc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-11(2)14-13-10-12-8-5-4-6-9-12/h3-9,11,13H,10H2,1-2H3/b7-3+
InChIKeyIEQXDNRIMLBYJR-XVNBXDOJSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.67
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
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
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
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
n-(4-Fluorobenzyl)-o-isobutyl-hydroxylamine
CID 21947412

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine?
The IUPAC name of N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine (CID 10976317) is N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine.
What is the SMILES notation for N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine?
The canonical SMILES for N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine is C/C=C/C(C)ONCc1ccccc1.
What is the InChIKey of N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine?
The InChIKey is IEQXDNRIMLBYJR-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-7-11(2)14-13-10-12-8-5-4-6-9-12/h3-9,11,13H,10H2,1-2H3/b7-3+.
What are the key properties of N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine?
N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine is sourced from PubChem (CID 10976317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).