4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride

C18H29ClN2 — CID 2967205

IUPAC4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride
SMILESCC(NCc1ccc(N(C)C)cc1)C1CC2CCC1C2.Cl
InChIInChI=1S/C18H28N2.ClH/c1-13(18-11-15-4-7-16(18)10-15)19-12-14-5-8-17(9-6-14)20(2)3;/h5-6,8-9,13,15-16,18-19H,4,7,10-12H2,1-3H3;1H
InChIKeyKQSHGAPFFDCYEV-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.09
Rot. Bonds5

About 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride

4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride (PubChem CID 2967205) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride
PubChem CID2967205
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride
SMILESCC(NCc1ccc(N(C)C)cc1)C1CC2CCC1C2.Cl
InChIInChI=1S/C18H28N2.ClH/c1-13(18-11-15-4-7-16(18)10-15)19-12-14-5-8-17(9-6-14)20(2)3;/h5-6,8-9,13,15-16,18-19H,4,7,10-12H2,1-3H3;1H
InChIKeyKQSHGAPFFDCYEV-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.09
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'}

Analyze 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride 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 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride (CID 2967205) is 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride is CC(NCc1ccc(N(C)C)cc1)C1CC2CCC1C2.Cl.
What is the InChIKey of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride?
The InChIKey is KQSHGAPFFDCYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.ClH/c1-13(18-11-15-4-7-16(18)10-15)19-12-14-5-8-17(9-6-14)20(2)3;/h5-6,8-9,13,15-16,18-19H,4,7,10-12H2,1-3H3;1H.
What are the key properties of 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride?
4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride has a molecular weight of 308.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 2967205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).