N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline

C17H20ClNO — CID 82215171

IUPACN-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline
SMILESCCOc1ccccc1C(Cl)CN(C)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-3-20-17-12-8-7-11-15(17)16(18)13-19(2)14-9-5-4-6-10-14/h4-12,16H,3,13H2,1-2H3
InChIKeyRQPBVRBKCRRQGJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.50
Rot. Bonds6

About N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline

N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline (PubChem CID 82215171) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline
PubChem CID82215171
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline
SMILESCCOc1ccccc1C(Cl)CN(C)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-3-20-17-12-8-7-11-15(17)16(18)13-19(2)14-9-5-4-6-10-14/h4-12,16H,3,13H2,1-2H3
InChIKeyRQPBVRBKCRRQGJ-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.50
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 N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline?
The IUPAC name of N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline (CID 82215171) is N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline.
What is the SMILES notation for N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline?
The canonical SMILES for N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline is CCOc1ccccc1C(Cl)CN(C)c1ccccc1.
What is the InChIKey of N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline?
The InChIKey is RQPBVRBKCRRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-20-17-12-8-7-11-15(17)16(18)13-19(2)14-9-5-4-6-10-14/h4-12,16H,3,13H2,1-2H3.
What are the key properties of N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline?
N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline has a molecular weight of 289.81 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 82215171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).