(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine

C17H21NO — CID 143912430

IUPAC(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine
SMILESC=C/C(OC)=C(\C=C\N/C(C)=C/C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-5-14(3)18-13-12-16(17(6-2)19-4)15-10-8-7-9-11-15/h5-13,18H,2H2,1,3-4H3/b13-12+,14-5+,17-16-
InChIKeyAXSLESCTTITFBG-YCJLFCCOSA-N
MW255.36 g/mol
LogP4.26
Rot. Bonds6

About (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine

(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine (PubChem CID 143912430) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine
PubChem CID143912430
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine
SMILESC=C/C(OC)=C(\C=C\N/C(C)=C/C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-5-14(3)18-13-12-16(17(6-2)19-4)15-10-8-7-9-11-15/h5-13,18H,2H2,1,3-4H3/b13-12+,14-5+,17-16-
InChIKeyAXSLESCTTITFBG-YCJLFCCOSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 140405443
7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 143684921
acetylene;(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine;ethane;hex-1-ene
CID 143912429

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine (CID 143912430) is (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine is C=C/C(OC)=C(\C=C\N/C(C)=C/C)c1ccccc1.
What is the InChIKey of (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine?
The InChIKey is AXSLESCTTITFBG-YCJLFCCOSA-N. The full InChI is InChI=1S/C17H21NO/c1-5-14(3)18-13-12-16(17(6-2)19-4)15-10-8-7-9-11-15/h5-13,18H,2H2,1,3-4H3/b13-12+,14-5+,17-16-.
What are the key properties of (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine?
(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 143912430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).