1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine

C15H23Cl2NO — CID 116725191

IUPAC1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
SMILESCCOC(C(N)Cc1c(Cl)cccc1Cl)C(C)(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-19-14(15(2,3)4)13(18)9-10-11(16)7-6-8-12(10)17/h6-8,13-14H,5,9,18H2,1-4H3
InChIKeyXNVMAZCUMJVNQB-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.31
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine

1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine (PubChem CID 116725191) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
PubChem CID116725191
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
SMILESCCOC(C(N)Cc1c(Cl)cccc1Cl)C(C)(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-19-14(15(2,3)4)13(18)9-10-11(16)7-6-8-12(10)17/h6-8,13-14H,5,9,18H2,1-4H3
InChIKeyXNVMAZCUMJVNQB-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine 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

1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725277
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 107312791
2-(2-amino-3-methylbutyl)-3-chlorophenol
CID 115347401
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197311
[3-(2,6-dichlorophenyl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246265
[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273639
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine (CID 116725191) is 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine is CCOC(C(N)Cc1c(Cl)cccc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
The InChIKey is XNVMAZCUMJVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-19-14(15(2,3)4)13(18)9-10-11(16)7-6-8-12(10)17/h6-8,13-14H,5,9,18H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine has a molecular weight of 304.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116725191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).