N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine

C12H17NO — CID 11816354

IUPACN,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine
SMILESCN(C)CCO/C=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-13(2)9-11-14-10-8-12-6-4-3-5-7-12/h3-8,10H,9,11H2,1-2H3/b10-8+
InChIKeyXMGREXCXPFEQPM-CSKARUKUSA-N
MW191.27 g/mol
LogP2.24
Rot. Bonds5

About N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine

N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine (PubChem CID 11816354) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine
PubChem CID11816354
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine
SMILESCN(C)CCO/C=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-13(2)9-11-14-10-8-12-6-4-3-5-7-12/h3-8,10H,9,11H2,1-2H3/b10-8+
InChIKeyXMGREXCXPFEQPM-CSKARUKUSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
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

4-(3-Phenylpropyl)morpholine
CID 782728
(2E)-N-(2-methoxyethyl)-3-phenyl-N-[(2E)-3-phenylprop-2-en-1-yl]prop-2-en-1-amine
CID 6377750
Triethylamine, 2-(phenethyloxy)-
CID 213755
2-[(3-Phenylpropyl)(propyl)amino]ethanol
CID 756834
4-(3-Phenylprop-2-yn-1-yl)morpholine hydrochloride
CID 6456085
4-(3-Phenylprop-2-ynyl)morpholine
CID 776254
Ethylamine, N,N-dimethyl-2-(phenethyloxy)-
CID 33467
4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride
CID 57402672
Triethylamine, 2-(3-phenylpropoxy)-
CID 213371
N,N-Diethyl-2-(4-phenylbutoxy)ethan-1-amine
CID 213372
Triethylamine, 2-(cinnamyloxy)-
CID 6445317
Cambridge id 5427248
CID 2244852

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine (CID 11816354) is N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine is CN(C)CCO/C=C/c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine?
The InChIKey is XMGREXCXPFEQPM-CSKARUKUSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(2)9-11-14-10-8-12-6-4-3-5-7-12/h3-8,10H,9,11H2,1-2H3/b10-8+.
What are the key properties of N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine?
N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(E)-2-phenylethenoxy]ethanamine is sourced from PubChem (CID 11816354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).