3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride

C10H18Cl2N2O — CID 66649609

IUPAC3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
SMILESCN(C)CCOc1cccc(N)c1.Cl.Cl
InChIInChI=1S/C10H16N2O.2ClH/c1-12(2)6-7-13-10-5-3-4-9(11)8-10;;/h3-5,8H,6-7,11H2,1-2H3;2*1H
InChIKeyUWUWTAXZZBMJDS-UHFFFAOYSA-N
MW253.17 g/mol
LogP2.05
Rot. Bonds4

About 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride

3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride (PubChem CID 66649609) has the molecular formula C10H18Cl2N2O and a molecular weight of 253.17 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
PubChem CID66649609
Molecular FormulaC10H18Cl2N2O
Molecular Weight253.17 g/mol
Exact Mass252.08
IUPAC Name3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
SMILESCN(C)CCOc1cccc(N)c1.Cl.Cl
InChIInChI=1S/C10H16N2O.2ClH/c1-12(2)6-7-13-10-5-3-4-9(11)8-10;;/h3-5,8H,6-7,11H2,1-2H3;2*1H
InChIKeyUWUWTAXZZBMJDS-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427
5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
CID 68840526
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
4-[3-[2-(dimethylamino)ethoxy]phenyl]sulfanylbenzene-1,2-diamine
CID 21451762
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride (CID 66649609) is 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride is CN(C)CCOc1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride?
The InChIKey is UWUWTAXZZBMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.2ClH/c1-12(2)6-7-13-10-5-3-4-9(11)8-10;;/h3-5,8H,6-7,11H2,1-2H3;2*1H.
What are the key properties of 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride?
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride has a molecular weight of 253.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride is sourced from PubChem (CID 66649609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).