(1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine

C16H23NO — CID 12572160

IUPAC(1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine
SMILESCCN(CC)/C(=C\C=C(C)C)Oc1ccccc1
InChIInChI=1S/C16H23NO/c1-5-17(6-2)16(13-12-14(3)4)18-15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3/b16-13+
InChIKeyKNIZXRLZWHDSDM-DTQAZKPQSA-N
MW245.37 g/mol
LogP4.21
Rot. Bonds6

About (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine

(1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine (PubChem CID 12572160) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine
PubChem CID12572160
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine
SMILESCCN(CC)/C(=C\C=C(C)C)Oc1ccccc1
InChIInChI=1S/C16H23NO/c1-5-17(6-2)16(13-12-14(3)4)18-15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3/b16-13+
InChIKeyKNIZXRLZWHDSDM-DTQAZKPQSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
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 139635825
acetamide;phenyl propanoate
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3-[ethyl(phenoxycarbonyl)amino]-2-methylpropanoic acid
CID 62827922
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
butane;phenyl carbamate
CID 145076324
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
1-O-(aminomethyl) 3-O-phenyl 2,2-diethylpropanedioate
CID 174386142
phenyl propanoate
CID 161258381
azane;ethanol;mercury;phenyl acetate
CID 70517650
phenyl acetate;propan-1-ol
CID 70298210
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
phenyl acetate;hydroiodide
CID 172788123

Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine (CID 12572160) is (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine is CCN(CC)/C(=C\C=C(C)C)Oc1ccccc1.
What is the InChIKey of (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine?
The InChIKey is KNIZXRLZWHDSDM-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-17(6-2)16(13-12-14(3)4)18-15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3/b16-13+.
What are the key properties of (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine?
(1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-diethyl-4-methyl-1-phenoxypenta-1,3-dien-1-amine is sourced from PubChem (CID 12572160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).