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

C17H27Cl2NO — CID 116760422

IUPAC1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(CC)(CC)OCC
InChIInChI=1S/C17H27Cl2NO/c1-5-12-20-16(17(6-2,7-3)21-8-4)13-10-9-11-14(18)15(13)19/h9-11,16,20H,5-8,12H2,1-4H3
InChIKeyNAHNEFAKOCOMDQ-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.63
Rot. Bonds9

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

1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine (PubChem CID 116760422) has the molecular formula C17H27Cl2NO and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
PubChem CID116760422
Molecular FormulaC17H27Cl2NO
Molecular Weight332.32 g/mol
Exact Mass331.15
IUPAC Name1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(CC)(CC)OCC
InChIInChI=1S/C17H27Cl2NO/c1-5-12-20-16(17(6-2,7-3)21-8-4)13-10-9-11-14(18)15(13)19/h9-11,16,20H,5-8,12H2,1-4H3
InChIKeyNAHNEFAKOCOMDQ-UHFFFAOYSA-N
XLogP5.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
CID 116760420
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493376
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine (CID 116760422) is 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine is CCCNC(c1cccc(Cl)c1Cl)C(CC)(CC)OCC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The InChIKey is NAHNEFAKOCOMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2NO/c1-5-12-20-16(17(6-2,7-3)21-8-4)13-10-9-11-14(18)15(13)19/h9-11,16,20H,5-8,12H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine has a molecular weight of 332.32 g/mol, XLogP of 5.63, 9 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-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116760422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).