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

C15H23Br2N — CID 43482220

IUPAC1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc(Br)ccc1Br
InChIInChI=1S/C15H23Br2N/c1-4-6-7-11(5-2)15(18-3)13-10-12(16)8-9-14(13)17/h8-11,15,18H,4-7H2,1-3H3
InChIKeyBIKYXGOLIFJIBF-UHFFFAOYSA-N
MW377.16 g/mol
LogP5.69
Rot. Bonds7

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

1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine (PubChem CID 43482220) has the molecular formula C15H23Br2N and a molecular weight of 377.16 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
PubChem CID43482220
Molecular FormulaC15H23Br2N
Molecular Weight377.16 g/mol
Exact Mass375.02
IUPAC Name1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc(Br)ccc1Br
InChIInChI=1S/C15H23Br2N/c1-4-6-7-11(5-2)15(18-3)13-10-12(16)8-9-14(13)17/h8-11,15,18H,4-7H2,1-3H3
InChIKeyBIKYXGOLIFJIBF-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 43493531
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene
CID 82988110
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
1-(2,5-dibromophenyl)-2-propylpentan-1-amine
CID 82984674
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673
1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine (CID 43482220) is 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine?
The InChIKey is BIKYXGOLIFJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2N/c1-4-6-7-11(5-2)15(18-3)13-10-12(16)8-9-14(13)17/h8-11,15,18H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine?
1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine has a molecular weight of 377.16 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 43482220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).