1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine

C15H23Cl2NO — CID 116727173

IUPAC1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)OCC
InChIInChI=1S/C15H23Cl2NO/c1-5-9-18-14(15(3,4)19-6-2)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyVOARGYDTHPGSRG-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.85
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine

1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine (PubChem CID 116727173) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
PubChem CID116727173
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)OCC
InChIInChI=1S/C15H23Cl2NO/c1-5-9-18-14(15(3,4)19-6-2)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyVOARGYDTHPGSRG-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-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 116727223
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
2-methoxy-2-methyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79196999
2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
CID 83155273
2-ethoxy-N-ethyl-2-methyl-1-quinolin-6-ylpropan-1-amine
CID 116726919
2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 116727206
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 104657719

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine (CID 116727173) is 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)OCC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is VOARGYDTHPGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-9-18-14(15(3,4)19-6-2)11-7-8-12(16)13(17)10-11/h7-8,10,14,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
1-(3,4-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-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 116727173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).