5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine

C18H30ClN — CID 142076103

IUPAC5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine
SMILESCCCC(C)(c1ccc(Cl)cc1)C(CC(C)C)N(C)C
InChIInChI=1S/C18H30ClN/c1-7-12-18(4,15-8-10-16(19)11-9-15)17(20(5)6)13-14(2)3/h8-11,14,17H,7,12-13H2,1-6H3
InChIKeyFABGLXORCWJBTM-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.37
Rot. Bonds7

About 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine

5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine (PubChem CID 142076103) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine
PubChem CID142076103
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine
SMILESCCCC(C)(c1ccc(Cl)cc1)C(CC(C)C)N(C)C
InChIInChI=1S/C18H30ClN/c1-7-12-18(4,15-8-10-16(19)11-9-15)17(20(5)6)13-14(2)3/h8-11,14,17H,7,12-13H2,1-6H3
InChIKeyFABGLXORCWJBTM-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine (CID 142076103) is 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine is CCCC(C)(c1ccc(Cl)cc1)C(CC(C)C)N(C)C.
What is the InChIKey of 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine?
The InChIKey is FABGLXORCWJBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-7-12-18(4,15-8-10-16(19)11-9-15)17(20(5)6)13-14(2)3/h8-11,14,17H,7,12-13H2,1-6H3.
What are the key properties of 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine?
5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine has a molecular weight of 295.90 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine is sourced from PubChem (CID 142076103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).