4-(ethylaminomethyl)-N,N-dimethylaniline

C11H18N2 — CID 3542461

IUPAC4-(ethylaminomethyl)-N,N-dimethylaniline
SMILESCCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2/c1-4-12-9-10-5-7-11(8-6-10)13(2)3/h5-8,12H,4,9H2,1-3H3
InChIKeyJPQUAUQJXYRDKM-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.86
Rot. Bonds4

About 4-(ethylaminomethyl)-N,N-dimethylaniline

4-(ethylaminomethyl)-N,N-dimethylaniline (PubChem CID 3542461) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,N-dimethylaniline
PubChem CID3542461
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(ethylaminomethyl)-N,N-dimethylaniline
SMILESCCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2/c1-4-12-9-10-5-7-11(8-6-10)13(2)3/h5-8,12H,4,9H2,1-3H3
InChIKeyJPQUAUQJXYRDKM-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,N-dimethylaniline?
The IUPAC name of 4-(ethylaminomethyl)-N,N-dimethylaniline (CID 3542461) is 4-(ethylaminomethyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(ethylaminomethyl)-N,N-dimethylaniline is CCNCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N,N-dimethylaniline?
The InChIKey is JPQUAUQJXYRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-9-10-5-7-11(8-6-10)13(2)3/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N,N-dimethylaniline?
4-(ethylaminomethyl)-N,N-dimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,N-dimethylaniline is sourced from PubChem (CID 3542461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).