N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine

C15H23Br2N — CID 60781473

IUPACN-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C15H23Br2N/c1-10(2)5-6-11(3)18-12(4)14-8-7-13(16)9-15(14)17/h7-12,18H,5-6H2,1-4H3
InChIKeySMEQSJRWERHZDU-UHFFFAOYSA-N
MW377.16 g/mol
LogP5.69
Rot. Bonds6

About N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine

N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 60781473) has the molecular formula C15H23Br2N and a molecular weight of 377.16 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
PubChem CID60781473
Molecular FormulaC15H23Br2N
Molecular Weight377.16 g/mol
Exact Mass375.02
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C15H23Br2N/c1-10(2)5-6-11(3)18-12(4)14-8-7-13(16)9-15(14)17/h7-12,18H,5-6H2,1-4H3
InChIKeySMEQSJRWERHZDU-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.16
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine (CID 60781473) is N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is SMEQSJRWERHZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2N/c1-10(2)5-6-11(3)18-12(4)14-8-7-13(16)9-15(14)17/h7-12,18H,5-6H2,1-4H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine?
N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 377.16 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 60781473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).