N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline

C16H18ClNO — CID 54482087

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
SMILESCCN(CCOc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-18(14-8-4-3-5-9-14)12-13-19-16-11-7-6-10-15(16)17/h3-11H,2,12-13H2,1H3
InChIKeyXPRYUYUZCLONMP-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline

N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline (PubChem CID 54482087) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
PubChem CID54482087
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
SMILESCCN(CCOc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-18(14-8-4-3-5-9-14)12-13-19-16-11-7-6-10-15(16)17/h3-11H,2,12-13H2,1H3
InChIKeyXPRYUYUZCLONMP-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
N-[2-(4-chlorophenoxy)ethyl]-N-ethylaniline;oxirane
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N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
CID 54550055
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
CID 54226224
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline (CID 54482087) is N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline is CCN(CCOc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline?
The InChIKey is XPRYUYUZCLONMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-18(14-8-4-3-5-9-14)12-13-19-16-11-7-6-10-15(16)17/h3-11H,2,12-13H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline?
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline is sourced from PubChem (CID 54482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).