4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride

C16H30Cl2N2O — CID 19885274

IUPAC4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
SMILESCC(CCc1ccc(OCCN(C)C)cc1)N(C)C.Cl.Cl
InChIInChI=1S/C16H28N2O.2ClH/c1-14(18(4)5)6-7-15-8-10-16(11-9-15)19-13-12-17(2)3;;/h8-11,14H,6-7,12-13H2,1-5H3;2*1H
InChIKeyFBQYQXYBYNFNER-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.35
Rot. Bonds8

About 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride

4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride (PubChem CID 19885274) has the molecular formula C16H30Cl2N2O and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
PubChem CID19885274
Molecular FormulaC16H30Cl2N2O
Molecular Weight337.34 g/mol
Exact Mass336.17
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
SMILESCC(CCc1ccc(OCCN(C)C)cc1)N(C)C.Cl.Cl
InChIInChI=1S/C16H28N2O.2ClH/c1-14(18(4)5)6-7-15-8-10-16(11-9-15)19-13-12-17(2)3;;/h8-11,14H,6-7,12-13H2,1-5H3;2*1H
InChIKeyFBQYQXYBYNFNER-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride 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-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
4-[4-[3-(dimethylamino)butyl]phenoxy]butanenitrile;hydrochloride
CID 70383786
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
CID 19885108
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 3079535
4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
CID 19885149

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride (CID 19885274) is 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride is CC(CCc1ccc(OCCN(C)C)cc1)N(C)C.Cl.Cl.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride?
The InChIKey is FBQYQXYBYNFNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.2ClH/c1-14(18(4)5)6-7-15-8-10-16(11-9-15)19-13-12-17(2)3;;/h8-11,14H,6-7,12-13H2,1-5H3;2*1H.
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride?
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride has a molecular weight of 337.34 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride is sourced from PubChem (CID 19885274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).