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

C15H23Cl2NO — CID 116758747

IUPAC1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1c(Cl)cccc1Cl)NC
InChIInChI=1S/C15H23Cl2NO/c1-5-15(3,19-6-2)14(18-4)10-11-12(16)8-7-9-13(11)17/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyBPXNRLGAJQSXLT-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.33
Rot. Bonds7

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

1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine (PubChem CID 116758747) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
PubChem CID116758747
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1c(Cl)cccc1Cl)NC
InChIInChI=1S/C15H23Cl2NO/c1-5-15(3,19-6-2)14(18-4)10-11-12(16)8-7-9-13(11)17/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyBPXNRLGAJQSXLT-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759886
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 106868834
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063654
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79052907
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
CID 116758877
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
CID 116758710
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine (CID 116758747) is 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine is CCOC(C)(CC)C(Cc1c(Cl)cccc1Cl)NC.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The InChIKey is BPXNRLGAJQSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-15(3,19-6-2)14(18-4)10-11-12(16)8-7-9-13(11)17/h7-9,14,18H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine has a molecular weight of 304.26 g/mol, XLogP of 4.33, 7 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-N,3-dimethylpentan-2-amine is sourced from PubChem (CID 116758747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).