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

C16H25Cl2NO — CID 107309099

IUPAC1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C(C)(C)OCC
InChIInChI=1S/C16H25Cl2NO/c1-5-10-19-14(16(3,4)20-6-2)11-12-8-7-9-13(17)15(12)18/h7-9,14,19H,5-6,10-11H2,1-4H3
InChIKeyLSHCKXZGNACUID-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.72
Rot. Bonds8

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

1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine (PubChem CID 107309099) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
PubChem CID107309099
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C(C)(C)OCC
InChIInChI=1S/C16H25Cl2NO/c1-5-10-19-14(16(3,4)20-6-2)11-12-8-7-9-13(17)15(12)18/h7-9,14,19H,5-6,10-11H2,1-4H3
InChIKeyLSHCKXZGNACUID-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
2-[(2,3-dichlorophenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 107309806
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine (CID 107309099) is 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1cccc(Cl)c1Cl)C(C)(C)OCC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine?
The InChIKey is LSHCKXZGNACUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-5-10-19-14(16(3,4)20-6-2)11-12-8-7-9-13(17)15(12)18/h7-9,14,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine?
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine has a molecular weight of 318.29 g/mol, XLogP of 4.72, 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)-3-ethoxy-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 107309099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).