(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine

C14H19NO — CID 143676955

IUPAC(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(CN)=C(\C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-11(2)16-14(10-15)12(3)9-13-7-5-4-6-8-13/h4-8H,1,9-10,15H2,2-3H3/b14-12+
InChIKeyLBBCUKRPEFLCLR-WYMLVPIESA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds5

About (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine

(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine (PubChem CID 143676955) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine
PubChem CID143676955
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine
SMILESC=C(C)O/C(CN)=C(\C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-11(2)16-14(10-15)12(3)9-13-7-5-4-6-8-13/h4-8H,1,9-10,15H2,2-3H3/b14-12+
InChIKeyLBBCUKRPEFLCLR-WYMLVPIESA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
CID 134862158
Benzylidene ethanolamine
CID 67642473
[5-[1-(3-Fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine
CID 123204833
[5-[1-(2,4-Difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine
CID 123962515
[(2E)-3-(4-fluorophenyl)-8-methyl-1-oxacycloocta-2,6,7-trien-2-yl]methanamine
CID 143676943
(E)-2-methyl-4-phenylbut-2-en-1-amine
CID 10844713
2-[(E)-2-phenylethenoxy]ethanamine
CID 14980100
2-Ethyl-2-methoxy-4-phenylbut-3-yn-1-amine
CID 134888681
2-[(E)-2-phenylethenoxy]ethanamine;hydrochloride
CID 19756039
2-(3-Phenylpropoxy)ethanamine
CID 22051271
2-Methyl-3-phenylbut-2-en-1-amine
CID 53703439
2-(2-Phenylethenoxy)ethanamine
CID 56997021

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine?
The IUPAC name of (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine (CID 143676955) is (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine.
What is the SMILES notation for (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine?
The canonical SMILES for (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine is C=C(C)O/C(CN)=C(\C)Cc1ccccc1.
What is the InChIKey of (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine?
The InChIKey is LBBCUKRPEFLCLR-WYMLVPIESA-N. The full InChI is InChI=1S/C14H19NO/c1-11(2)16-14(10-15)12(3)9-13-7-5-4-6-8-13/h4-8H,1,9-10,15H2,2-3H3/b14-12+.
What are the key properties of (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine?
(E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-phenyl-2-prop-1-en-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 143676955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).