1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine

C15H23Cl2NO — CID 116727046

IUPAC1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)C(C)(C)OCC
InChIInChI=1S/C15H23Cl2NO/c1-5-9-18-14(15(3,4)19-6-2)12-10-11(16)7-8-13(12)17/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeySXHGPQQUAWSZJE-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.85
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine

1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine (PubChem CID 116727046) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
PubChem CID116727046
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)C(C)(C)OCC
InChIInChI=1S/C15H23Cl2NO/c1-5-9-18-14(15(3,4)19-6-2)12-10-11(16)7-8-13(12)17/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeySXHGPQQUAWSZJE-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727173
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63501913
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
1-(2,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001064
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738
2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
CID 66436500
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine (CID 116727046) is 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc(Cl)ccc1Cl)C(C)(C)OCC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is SXHGPQQUAWSZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-9-18-14(15(3,4)19-6-2)12-10-11(16)7-8-13(12)17/h7-8,10,14,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 116727046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).