3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C13H20ClN — CID 62725326

IUPAC3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-4-15-10-13(2,3)9-11-7-5-6-8-12(11)14/h5-8,15H,4,9-10H2,1-3H3
InChIKeyJGDGCEPPHFMVME-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.52
Rot. Bonds5

About 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 62725326) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID62725326
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-4-15-10-13(2,3)9-11-7-5-6-8-12(11)14/h5-8,15H,4,9-10H2,1-3H3
InChIKeyJGDGCEPPHFMVME-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 62725326) is 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is JGDGCEPPHFMVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-15-10-13(2,3)9-11-7-5-6-8-12(11)14/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62725326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).