N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane

C19H34ClNO — CID 165134961

IUPACN-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane
SMILESCCCCN(C)CCC(C)(C)c1ccc(Cl)cc1.CCOC
InChIInChI=1S/C16H26ClN.C3H8O/c1-5-6-12-18(4)13-11-16(2,3)14-7-9-15(17)10-8-14;1-3-4-2/h7-10H,5-6,11-13H2,1-4H3;3H2,1-2H3
InChIKeyXYXFOOHBUWPSOB-UHFFFAOYSA-N
MW327.94 g/mol
LogP5.39
Rot. Bonds8

About N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane

N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane (PubChem CID 165134961) has the molecular formula C19H34ClNO and a molecular weight of 327.94 g/mol. Its IUPAC name is N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane.

Molecular Properties

Compound NameN-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane
PubChem CID165134961
Molecular FormulaC19H34ClNO
Molecular Weight327.94 g/mol
Exact Mass327.23
IUPAC NameN-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane
SMILESCCCCN(C)CCC(C)(C)c1ccc(Cl)cc1.CCOC
InChIInChI=1S/C16H26ClN.C3H8O/c1-5-6-12-18(4)13-11-16(2,3)14-7-9-15(17)10-8-14;1-3-4-2/h7-10H,5-6,11-13H2,1-4H3;3H2,1-2H3
InChIKeyXYXFOOHBUWPSOB-UHFFFAOYSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.94
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane?
The IUPAC name of N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane (CID 165134961) is N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane.
What is the SMILES notation for N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane?
The canonical SMILES for N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane is CCCCN(C)CCC(C)(C)c1ccc(Cl)cc1.CCOC.
What is the InChIKey of N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane?
The InChIKey is XYXFOOHBUWPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN.C3H8O/c1-5-6-12-18(4)13-11-16(2,3)14-7-9-15(17)10-8-14;1-3-4-2/h7-10H,5-6,11-13H2,1-4H3;3H2,1-2H3.
What are the key properties of N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane?
N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane has a molecular weight of 327.94 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-chlorophenyl)-N,3-dimethylbutan-1-amine;methoxyethane is sourced from PubChem (CID 165134961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).