2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine

C14H21NO — CID 139900914

IUPAC2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine
SMILESCC=C(CNCCc1ccccc1)OCC
InChIInChI=1S/C14H21NO/c1-3-14(16-4-2)12-15-11-10-13-8-6-5-7-9-13/h3,5-9,15H,4,10-12H2,1-2H3
InChIKeyYDOMRXOUIDQGIN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds7

About 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine

2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine (PubChem CID 139900914) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine
PubChem CID139900914
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine
SMILESCC=C(CNCCc1ccccc1)OCC
InChIInChI=1S/C14H21NO/c1-3-14(16-4-2)12-15-11-10-13-8-6-5-7-9-13/h3,5-9,15H,4,10-12H2,1-2H3
InChIKeyYDOMRXOUIDQGIN-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
CID 103234136
(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine
CID 90041868
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
butyl 2-(2-phenylethylamino)acetate
CID 60679601
ethyl 2-methyl-2-[4-[2-(2-phenylethylamino)ethyl]phenoxy]propanoate
CID 59298851
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 2-methyl-2-[4-[2-(3-phenylpropylamino)ethyl]phenoxy]propanoate
CID 69099777
ethyl (2S)-2-(benzylamino)-3-(2-phenylethylamino)propanoate
CID 10936300
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
ethyl 2-(3,5-diphenylpentylamino)acetate
CID 21019958

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine?
The IUPAC name of 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine (CID 139900914) is 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine.
What is the SMILES notation for 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine?
The canonical SMILES for 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine is CC=C(CNCCc1ccccc1)OCC.
What is the InChIKey of 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine?
The InChIKey is YDOMRXOUIDQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(16-4-2)12-15-11-10-13-8-6-5-7-9-13/h3,5-9,15H,4,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine?
2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine is sourced from PubChem (CID 139900914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).