N-[(E)-but-2-enoxy]-1-phenylmethanamine

C11H15NO — CID 100914451

IUPACN-[(E)-but-2-enoxy]-1-phenylmethanamine
SMILESC/C=C/CONCc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-3-9-13-12-10-11-7-5-4-6-8-11/h2-8,12H,9-10H2,1H3/b3-2+
InChIKeyVNQPIPQSSYDHCV-NSCUHMNNSA-N
MW177.25 g/mol
LogP2.28
Rot. Bonds5

About N-[(E)-but-2-enoxy]-1-phenylmethanamine

N-[(E)-but-2-enoxy]-1-phenylmethanamine (PubChem CID 100914451) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(E)-but-2-enoxy]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(E)-but-2-enoxy]-1-phenylmethanamine
PubChem CID100914451
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(E)-but-2-enoxy]-1-phenylmethanamine
SMILESC/C=C/CONCc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-3-9-13-12-10-11-7-5-4-6-8-11/h2-8,12H,9-10H2,1H3/b3-2+
InChIKeyVNQPIPQSSYDHCV-NSCUHMNNSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethoxy)-1-phenylmethanamine
CID 54396406
2-(benzylamino)oxyethanamine
CID 46183846
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
but-2-enoxybenzene
CID 564963
2-(benzylamino)oxyethanamine;dihydrochloride
CID 46183845
1-phenyl-N-(3-phenylpropoxy)methanamine
CID 154375568
[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane
CID 135049691
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
pent-3-enylbenzene
CID 519421
but-2-enylperoxybenzene
CID 159061955
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
N-ethoxy-1-phenylmethanamine;methyl hydrogen sulfate
CID 175484798

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enoxy]-1-phenylmethanamine?
The IUPAC name of N-[(E)-but-2-enoxy]-1-phenylmethanamine (CID 100914451) is N-[(E)-but-2-enoxy]-1-phenylmethanamine.
What is the SMILES notation for N-[(E)-but-2-enoxy]-1-phenylmethanamine?
The canonical SMILES for N-[(E)-but-2-enoxy]-1-phenylmethanamine is C/C=C/CONCc1ccccc1.
What is the InChIKey of N-[(E)-but-2-enoxy]-1-phenylmethanamine?
The InChIKey is VNQPIPQSSYDHCV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-9-13-12-10-11-7-5-4-6-8-11/h2-8,12H,9-10H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enoxy]-1-phenylmethanamine?
N-[(E)-but-2-enoxy]-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-[(E)-but-2-enoxy]-1-phenylmethanamine is sourced from PubChem (CID 100914451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).