N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline

C13H19N3 — CID 13123531

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline
SMILESCCN(CC1=NCCN1)c1ccc(C)cc1
InChIInChI=1S/C13H19N3/c1-3-16(10-13-14-8-9-15-13)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,14,15)
InChIKeyWXBXVWMCJVOVEK-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.82
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline (PubChem CID 13123531) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline
PubChem CID13123531
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline
SMILESCCN(CC1=NCCN1)c1ccc(C)cc1
InChIInChI=1S/C13H19N3/c1-3-16(10-13-14-8-9-15-13)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,14,15)
InChIKeyWXBXVWMCJVOVEK-UHFFFAOYSA-N
XLogP1.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline (CID 13123531) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline is CCN(CC1=NCCN1)c1ccc(C)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline?
The InChIKey is WXBXVWMCJVOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-16(10-13-14-8-9-15-13)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline has a molecular weight of 217.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-ethyl-4-methylaniline is sourced from PubChem (CID 13123531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).