N,N-diethyl-2-phenylethenamine

C12H17N — CID 12773281

IUPACN,N-diethyl-2-phenylethenamine
SMILESCCN(C=Cc1ccccc1)CC
InChIInChI=1S/C12H17N/c1-3-13(4-2)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyDPLUMPJQXVYXBH-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.00
Rot. Bonds4

About N,N-diethyl-2-phenylethenamine

N,N-diethyl-2-phenylethenamine (PubChem CID 12773281) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N,N-diethyl-2-phenylethenamine.

Molecular Properties

Compound NameN,N-diethyl-2-phenylethenamine
PubChem CID12773281
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN,N-diethyl-2-phenylethenamine
SMILESCCN(C=Cc1ccccc1)CC
InChIInChI=1S/C12H17N/c1-3-13(4-2)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyDPLUMPJQXVYXBH-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenylethenamine?
The IUPAC name of N,N-diethyl-2-phenylethenamine (CID 12773281) is N,N-diethyl-2-phenylethenamine.
What is the SMILES notation for N,N-diethyl-2-phenylethenamine?
The canonical SMILES for N,N-diethyl-2-phenylethenamine is CCN(C=Cc1ccccc1)CC.
What is the InChIKey of N,N-diethyl-2-phenylethenamine?
The InChIKey is DPLUMPJQXVYXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-13(4-2)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenylethenamine?
N,N-diethyl-2-phenylethenamine has a molecular weight of 175.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenylethenamine is sourced from PubChem (CID 12773281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).