2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride

C22H24Cl2N2O — CID 69326352

IUPAC2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
SMILESCN(C)CCOc1cccc(-c2ccc(Cl)c(Nc3ccccc3)c2)c1.Cl
InChIInChI=1S/C22H23ClN2O.ClH/c1-25(2)13-14-26-20-10-6-7-17(15-20)18-11-12-21(23)22(16-18)24-19-8-4-3-5-9-19;/h3-12,15-16,24H,13-14H2,1-2H3;1H
InChIKeyBSRRPIUJTPXUCT-UHFFFAOYSA-N
MW403.35 g/mol
LogP6.11
Rot. Bonds7

About 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride

2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride (PubChem CID 69326352) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
PubChem CID69326352
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
SMILESCN(C)CCOc1cccc(-c2ccc(Cl)c(Nc3ccccc3)c2)c1.Cl
InChIInChI=1S/C22H23ClN2O.ClH/c1-25(2)13-14-26-20-10-6-7-17(15-20)18-11-12-21(23)22(16-18)24-19-8-4-3-5-9-19;/h3-12,15-16,24H,13-14H2,1-2H3;1H
InChIKeyBSRRPIUJTPXUCT-UHFFFAOYSA-N
XLogP6.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride 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,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
CID 156795758
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride?
The IUPAC name of 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride (CID 69326352) is 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride.
What is the SMILES notation for 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride?
The canonical SMILES for 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride is CN(C)CCOc1cccc(-c2ccc(Cl)c(Nc3ccccc3)c2)c1.Cl.
What is the InChIKey of 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride?
The InChIKey is BSRRPIUJTPXUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O.ClH/c1-25(2)13-14-26-20-10-6-7-17(15-20)18-11-12-21(23)22(16-18)24-19-8-4-3-5-9-19;/h3-12,15-16,24H,13-14H2,1-2H3;1H.
What are the key properties of 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride?
2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride has a molecular weight of 403.35 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride is sourced from PubChem (CID 69326352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).