2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine

C15H24BrClN2 — CID 107619611

IUPAC2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H24BrClN2/c1-4-11(3)9-15(5-2,10-18)19-12-6-7-13(16)14(17)8-12/h6-8,11,19H,4-5,9-10,18H2,1-3H3
InChIKeyPGQZARCUIUIISF-UHFFFAOYSA-N
MW347.73 g/mol
LogP5.06
Rot. Bonds7

About 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine

2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine (PubChem CID 107619611) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine
PubChem CID107619611
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H24BrClN2/c1-4-11(3)9-15(5-2,10-18)19-12-6-7-13(16)14(17)8-12/h6-8,11,19H,4-5,9-10,18H2,1-3H3
InChIKeyPGQZARCUIUIISF-UHFFFAOYSA-N
XLogP5.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.73
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
The IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine (CID 107619611) is 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine is CCC(C)CC(CC)(CN)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
The InChIKey is PGQZARCUIUIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2/c1-4-11(3)9-15(5-2,10-18)19-12-6-7-13(16)14(17)8-12/h6-8,11,19H,4-5,9-10,18H2,1-3H3.
What are the key properties of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine has a molecular weight of 347.73 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine is sourced from PubChem (CID 107619611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).