(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine

C20H25NO — CID 101212624

IUPAC(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine
SMILESCCCC(ONC(C)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-10-20(19-13-8-5-9-14-19)22-21-17(2)15-16-18-11-6-4-7-12-18/h4-9,11-17,20-21H,3,10H2,1-2H3/b16-15+
InChIKeyPOTOLRFWEKYNGX-FOCLMDBBSA-N
MW295.43 g/mol
LogP5.15
Rot. Bonds8

About (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine

(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine (PubChem CID 101212624) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine
PubChem CID101212624
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine
SMILESCCCC(ONC(C)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-10-20(19-13-8-5-9-14-19)22-21-17(2)15-16-18-11-6-4-7-12-18/h4-9,11-17,20-21H,3,10H2,1-2H3/b16-15+
InChIKeyPOTOLRFWEKYNGX-FOCLMDBBSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-phenyl-N-[(1R)-1-phenylbutoxy]butan-2-amine
CID 101004920
5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
CID 101004910
(3R)-N-[(1S)-1-phenylbutoxy]hepta-1,6-dien-3-amine
CID 11402703
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
CID 10710619
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
[(Z)-3-butan-2-ylnon-1-enyl]benzene
CID 143094188
3-(bromomethyl)hex-1-enylbenzene
CID 91228511
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654
1-(1-phenylbutoxy)propan-2-ol
CID 139655590

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine?
The IUPAC name of (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine (CID 101212624) is (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine.
What is the SMILES notation for (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine?
The canonical SMILES for (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine is CCCC(ONC(C)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine?
The InChIKey is POTOLRFWEKYNGX-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-10-20(19-13-8-5-9-14-19)22-21-17(2)15-16-18-11-6-4-7-12-18/h4-9,11-17,20-21H,3,10H2,1-2H3/b16-15+.
What are the key properties of (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine?
(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine has a molecular weight of 295.43 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine is sourced from PubChem (CID 101212624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).