2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine

C15H25ClN2O — CID 39291785

IUPAC2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
SMILESCCNCc1cc(Cl)ccc1OCCN(CC)CC
InChIInChI=1S/C15H25ClN2O/c1-4-17-12-13-11-14(16)7-8-15(13)19-10-9-18(5-2)6-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyBQFLURLNSWRAAQ-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.17
Rot. Bonds9

About 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine

2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine (PubChem CID 39291785) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
PubChem CID39291785
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
SMILESCCNCc1cc(Cl)ccc1OCCN(CC)CC
InChIInChI=1S/C15H25ClN2O/c1-4-17-12-13-11-14(16)7-8-15(13)19-10-9-18(5-2)6-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyBQFLURLNSWRAAQ-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol
CID 63364400
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
5-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256565
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 43425082
N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107696867
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine (CID 39291785) is 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine is CCNCc1cc(Cl)ccc1OCCN(CC)CC.
What is the InChIKey of 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine?
The InChIKey is BQFLURLNSWRAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-17-12-13-11-14(16)7-8-15(13)19-10-9-18(5-2)6-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine?
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine has a molecular weight of 284.83 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 39291785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).