1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine

C15H23Cl2NO — CID 116717297

IUPAC1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(CC)OCC
InChIInChI=1S/C15H23Cl2NO/c1-4-10-18-15(13(5-2)19-6-3)11-8-7-9-12(16)14(11)17/h7-9,13,15,18H,4-6,10H2,1-3H3
InChIKeyZQSPMPXAZLLWHC-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.85
Rot. Bonds8

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

1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine (PubChem CID 116717297) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
PubChem CID116717297
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(CC)OCC
InChIInChI=1S/C15H23Cl2NO/c1-4-10-18-15(13(5-2)19-6-3)11-8-7-9-12(16)14(11)17/h7-9,13,15,18H,4-6,10H2,1-3H3
InChIKeyZQSPMPXAZLLWHC-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493376
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
CID 114731108
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
[1-(2,3-dichlorophenyl)-2-methoxybutyl]hydrazine
CID 105270727
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine (CID 116717297) is 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine is CCCNC(c1cccc(Cl)c1Cl)C(CC)OCC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine?
The InChIKey is ZQSPMPXAZLLWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-4-10-18-15(13(5-2)19-6-3)11-8-7-9-12(16)14(11)17/h7-9,13,15,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine?
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116717297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).