2,2-dichloro-N,N-diethyl-2-phenoxyethanamine

C12H17Cl2NO — CID 67848099

IUPAC2,2-dichloro-N,N-diethyl-2-phenoxyethanamine
SMILESCCN(CC)CC(Cl)(Cl)Oc1ccccc1
InChIInChI=1S/C12H17Cl2NO/c1-3-15(4-2)10-12(13,14)16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyDLTIMUJPLRUSAM-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.54
Rot. Bonds6

About 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine

2,2-dichloro-N,N-diethyl-2-phenoxyethanamine (PubChem CID 67848099) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine.

Molecular Properties

Compound Name2,2-dichloro-N,N-diethyl-2-phenoxyethanamine
PubChem CID67848099
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2,2-dichloro-N,N-diethyl-2-phenoxyethanamine
SMILESCCN(CC)CC(Cl)(Cl)Oc1ccccc1
InChIInChI=1S/C12H17Cl2NO/c1-3-15(4-2)10-12(13,14)16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyDLTIMUJPLRUSAM-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine?
The IUPAC name of 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine (CID 67848099) is 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine.
What is the SMILES notation for 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine?
The canonical SMILES for 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine is CCN(CC)CC(Cl)(Cl)Oc1ccccc1.
What is the InChIKey of 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine?
The InChIKey is DLTIMUJPLRUSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-15(4-2)10-12(13,14)16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine?
2,2-dichloro-N,N-diethyl-2-phenoxyethanamine has a molecular weight of 262.18 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-diethyl-2-phenoxyethanamine is sourced from PubChem (CID 67848099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).