N,N-dimethyl-2-phenylethenamine

C10H13N — CID 23277871

IUPACN,N-dimethyl-2-phenylethenamine
SMILESCN(C)C=Cc1ccccc1
InChIInChI=1S/C10H13N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeySDYRIBONPHEWCT-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.22
Rot. Bonds2

About N,N-dimethyl-2-phenylethenamine

N,N-dimethyl-2-phenylethenamine (PubChem CID 23277871) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylethenamine
PubChem CID23277871
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN,N-dimethyl-2-phenylethenamine
SMILESCN(C)C=Cc1ccccc1
InChIInChI=1S/C10H13N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeySDYRIBONPHEWCT-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-2-phenylethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylethenamine?
The IUPAC name of N,N-dimethyl-2-phenylethenamine (CID 23277871) is N,N-dimethyl-2-phenylethenamine.
What is the SMILES notation for N,N-dimethyl-2-phenylethenamine?
The canonical SMILES for N,N-dimethyl-2-phenylethenamine is CN(C)C=Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylethenamine?
The InChIKey is SDYRIBONPHEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-2-phenylethenamine?
N,N-dimethyl-2-phenylethenamine has a molecular weight of 147.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylethenamine is sourced from PubChem (CID 23277871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).